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Q9Y345 | SC6A5_HUMAN | Sodium- and chloride-dependent glycine transporter 2 (SLC6A5)

3D structures mapped by conservation among orthologs



[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL3325502 OBDepict CH 3 N CH 3 N N H O O F F F IC50 = 15.3 nM 463.54 CN(C)CCCN1CCC(NC(=O)c2ccc(COc3ccc(C(F)(F)F)cc3)cc2)CC1 Homo sapiens CHEMBL3390091 cell-based format
CHEMBL88588 OBDepict H 3 C O O O HN O CH 3 N CH 3 CH 3 IC50 = 16.0 nM 412.53 COc1cc(C(=O)NCC2(N(C)C)CCCC2)cc(OC)c1OCc1ccccc1 Homo sapiens CHEMBL680554 single protein format
CHEMBL153717 OBDepict OH N N H O IC50 = 24.0 nM 412.53 O=C(NCC/C=C/c1ccccc1)c1ccccc1CN1CCc2ccc(O)cc2C1 Homo sapiens CHEMBL680555 assay format
CHEMBL4587165 OBDepict CH 3 N H O H O HO H 2 N ClH IC50 = 25.5 nM 447.1 CCCCCCCC/C=CCCCCCCCC(=O)N[C@@H](CCCCN)C(=O)O.Cl Homo sapiens CHEMBL4481230 cell-based format
CHEMBL4515597 OBDepict CH 3 N H O H O HO S H 3 C IC50 = 29.2 nM 413.67 CCCCCCCC/C=CCCCCCCCC(=O)N[C@@H](CCSC)C(=O)O Homo sapiens CHEMBL4481230 cell-based format
CHEMBL153731 OBDepict OH CH 3 N HN O IC50 = 30.0 nM 426.56 CC1c2cc(O)ccc2CCN1Cc1ccccc1C(=O)NCC/C=C/c1ccccc1 Homo sapiens CHEMBL680555 assay format
CHEMBL239601 OBDepict HO N N O N N O F IC50 = 31.5 nM 492.6 OCC1(N2CCN(C3CCc4ccc(OCc5noc(-c6ccccc6F)n5)cc43)CC2)CCCC1 Homo sapiens CHEMBL903409 cell-based format
CHEMBL4572247 OBDepict CH 3 N H O H O HO H 2 N ClH IC50 = 31.6 nM 433.08 CCCCCCCC/C=CCCCCCCCC(=O)N[C@@H](CCCN)C(=O)O.Cl Homo sapiens CHEMBL4481230 cell-based format
CHEMBL358473 OBDepict HO N N H O IC50 = 33.0 nM 398.51 O=C(NCC/C=C/c1ccccc1)c1ccccc1CN1Cc2ccc(O)cc2C1 Homo sapiens CHEMBL680555 assay format
CHEMBL155273 OBDepict OH HN N H O IC50 = 43.0 nM 426.56 O=C(NCC/C=C/c1ccccc1)c1ccccc1CNC1CCc2cc(O)ccc2C1 Homo sapiens CHEMBL680555 assay format
CHEMBL4562565 OBDepict CH 3 N H O H O HO N H HN NH 2 ClH ClH IC50 = 47.9 nM 511.58 CCCCCCCC/C=CCCCCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O.Cl.Cl Homo sapiens CHEMBL4481230 cell-based format
CHEMBL4535356 OBDepict CH 3 N H O H O HO H 2 N ClH IC50 = 48.3 nM 447.1 CCCCCCCC/C=CCCCCCCCC(=O)N[C@H](CCCCN)C(=O)O.Cl Homo sapiens CHEMBL4481230 cell-based format
CHEMBL3325511 OBDepict O N H N O N F F F IC50 = 51.9 nM 469.51 O=C(NC1CCN(Cc2cccnc2)CC1)c1ccc(COc2ccc(C(F)(F)F)cc2)cc1 Homo sapiens CHEMBL3390091 cell-based format
CHEMBL4227139 OBDepict H 3 C N H O H O OH N H IC50 = 54.6 nM 468.68 CCCCCCCC/C=CCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O Homo sapiens CHEMBL4481230 cell-based format
CHEMBL153630 OBDepict OH N H NH O IC50 = 56.0 nM 400.52 O=C(NCC/C=C/c1ccccc1)c1ccccc1CNCCc1ccc(O)cc1 Homo sapiens CHEMBL680555 assay format
CHEMBL150560 OBDepict HO N N H O IC50 = 58.0 nM 426.56 O=C(NCC/C=C/c1ccccc1)c1ccccc1CN1CCc2ccc(O)cc2CC1 Homo sapiens CHEMBL680555 assay format
CHEMBL3325505 OBDepict O N H N O F F F IC50 = 62.1 nM 468.52 O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(COc2ccc(C(F)(F)F)cc2)cc1 Homo sapiens CHEMBL3390091 cell-based format
CHEMBL4527071 OBDepict CH 3 N H O H O HO HO IC50 = 64.8 nM 369.55 CCCCCCCC/C=CCCCCCCCC(=O)N[C@H](CO)C(=O)O Homo sapiens CHEMBL4481230 cell-based format
CHEMBL3325509 OBDepict OH N NH O O F F F IC50 = 65.8 nM 422.45 O=C(NC1CCN(CCO)CC1)c1ccc(COc2ccc(C(F)(F)F)cc2)cc1 Homo sapiens CHEMBL3390091 cell-based format
CHEMBL150377 OBDepict OH N CH 3 NH O IC50 = 67.0 nM 426.56 CC1Cc2ccc(O)cc2CN1Cc1ccccc1C(=O)NCC/C=C/c1ccccc1 Homo sapiens CHEMBL680555 assay format
CHEMBL4542099 OBDepict CH 3 N H O H O HO N H HN NH 2 ClH ClH IC50 = 69.2 nM 511.58 CCCCCCCC/C=CCCCCCCCC(=O)N[C@H](CCCNC(=N)N)C(=O)O.Cl.Cl Homo sapiens CHEMBL4481230 cell-based format
CHEMBL3325503 OBDepict CH 3 N H 3 C N N H O O F F F IC50 = 71.4 nM 449.52 CN(C)CCN1CCC(NC(=O)c2ccc(COc3ccc(C(F)(F)F)cc3)cc2)CC1 Homo sapiens CHEMBL3390091 cell-based format
CHEMBL348200 OBDepict OH N H NH O Cl IC50 = 77.0 nM 436.98 O=C(NCCCCc1ccc(Cl)cc1)c1ccccc1CNCCc1ccc(O)cc1 Homo sapiens CHEMBL680555 assay format
CHEMBL431997 OBDepict H 3 C O O O H 3 C CH 3 HN O N CH 3 CH 3 IC50 = 77.0 nM 378.51 CCCCOc1c(OC)cc(C(=O)NCC2(N(C)C)CCCC2)cc1OC Homo sapiens CHEMBL680554 single protein format
CHEMBL3325501 OBDepict CH 3 N N HN O O F F F IC50 = 79.6 nM 475.56 CN1CCC(N2CCC(NC(=O)c3ccc(COc4ccc(C(F)(F)F)cc4)cc3)CC2)CC1 Homo sapiens CHEMBL3390091 cell-based format
CHEMBL153075 OBDepict OH HN N H O IC50 = 81.0 nM 428.58 O=C(NCCCCc1ccccc1)c1ccccc1CNC1CCc2cc(O)ccc2C1 Homo sapiens CHEMBL680555 assay format
CHEMBL92310 OBDepict CH 3 O O O N H O CH 3 N CH 3 H 3 C IC50 = 84.0 nM 426.56 COc1cc(C(=O)NCC2(N(C)C)CCCCC2)cc(OC)c1OCc1ccccc1 Homo sapiens CHEMBL680554 single protein format
CHEMBL153139 OBDepict CH 3 N H O NH HO IC50 = 86.0 nM 416.57 Cc1ccc(CCCCNC(=O)c2ccccc2CNCCc2ccc(O)cc2)cc1 Homo sapiens CHEMBL680555 assay format
CHEMBL357936 OBDepict OH N N H O IC50 = 89.0 nM 414.55 O=C(NCCCCc1ccccc1)c1ccccc1CN1CCc2ccc(O)cc2C1 Homo sapiens CHEMBL680555 assay format
CHEMBL4549008 OBDepict CH 3 HN O H O O H 3 C NH 2 ClH IC50 = 91.3 nM 461.13 CCCCCCCC/C=CCCCCCCCC(=O)N[C@@H](CCCCN)C(=O)OC.Cl Homo sapiens CHEMBL4481230 cell-based format
CHEMBL153410 OBDepict OH N H NH O Cl IC50 = 99.0 nM 436.98 O=C(NCCCCc1cccc(Cl)c1)c1ccccc1CNCCc1ccc(O)cc1 Homo sapiens CHEMBL680555 assay format
CHEMBL3325508 OBDepict F N NH O O F F F IC50 = 99.1 nM 424.44 O=C(NC1CCN(CCF)CC1)c1ccc(COc2ccc(C(F)(F)F)cc2)cc1 Homo sapiens CHEMBL3390091 cell-based format
CHEMBL475562 OBDepict F O O H 2 N H O HO IC50 = 100.0 nM 395.43 N[C@@H](COC(c1cccc(F)c1)c1ccccc1OCc1ccccc1)C(=O)O Homo sapiens CHEMBL4219901 cell-based format
CHEMBL3325507 OBDepict CH 3 N HN O O F F F IC50 = 105.0 nM 392.42 CN1CCC(NC(=O)c2ccc(COc3ccc(C(F)(F)F)cc3)cc2)CC1 Homo sapiens CHEMBL3390091 cell-based format
CHEMBL3325506 OBDepict CH 3 N N H O O F F F IC50 = 107.0 nM 406.45 CCN1CCC(NC(=O)c2ccc(COc3ccc(C(F)(F)F)cc3)cc2)CC1 Homo sapiens CHEMBL3390091 cell-based format
CHEMBL3325495 OBDepict H 3 C N N N H O O F F F IC50 = 112.0 nM 461.53 CN1CCC(N2CCC(NC(=O)c3ccc(COc4ccc(C(F)(F)F)cc4)cc3)C2)CC1 Homo sapiens CHEMBL3390091 cell-based format
CHEMBL3325499 OBDepict CH 3 N N H N H O O F F F IC50 = 115.0 nM 461.53 CN1CCC(N2CC[C@H](NC(=O)c3ccc(COc4ccc(C(F)(F)F)cc4)cc3)C2)CC1 Homo sapiens CHEMBL3390091 cell-based format
CHEMBL348211 OBDepict OH N H NH O Cl Cl IC50 = 120.0 nM 471.43 O=C(NCCCCc1ccc(Cl)c(Cl)c1)c1ccccc1CNCCc1ccc(O)cc1 Homo sapiens CHEMBL680555 assay format
CHEMBL150901 OBDepict CH 3 O N H O NH HO IC50 = 130.0 nM 432.56 COc1ccc(CCCCNC(=O)c2ccccc2CNCCc2ccc(O)cc2)cc1 Homo sapiens CHEMBL680555 assay format
CHEMBL4540633 OBDepict H 3 C N H O H O HO N N H ClH IC50 = 130.0 nM 456.07 CCCCCCCC/C=CCCCCCCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O.Cl Homo sapiens CHEMBL4481230 cell-based format
CHEMBL150796 OBDepict OH NH N H O IC50 = 130.0 nM 440.59 O=C(NCC/C=C/c1ccccc1)c1ccccc1CNC1CCCc2cc(O)ccc2C1 Homo sapiens CHEMBL680555 assay format
CHEMBL149571 OBDepict OH N N H O IC50 = 130.0 nM 412.53 O=C(NCC/C=C/c1ccccc1)c1ccccc1CN1CCc2cc(O)ccc2C1 Homo sapiens CHEMBL680555 assay format
CHEMBL153148 OBDepict OH N H NH O IC50 = 140.0 nM 398.51 O=C(NCCC#Cc1ccccc1)c1ccccc1CNCCc1ccc(O)cc1 Homo sapiens CHEMBL680555 assay format
CHEMBL150954 OBDepict OH N H HN O F F F IC50 = 140.0 nM 470.54 O=C(NCCCCc1ccc(C(F)(F)F)cc1)c1ccccc1CNCCc1ccc(O)cc1 Homo sapiens CHEMBL680555 assay format
CHEMBL4228560 OBDepict CH 3 N H O H O OH H 3 C CH 3 IC50 = 143.0 nM 395.63 CCCCCCCC/C=CCCCCCCCC(=O)N[C@@H](CC(C)C)C(=O)O Homo sapiens CHEMBL4481230 cell-based format
CHEMBL4592570 OBDepict H 3 C NH O H O OH IC50 = 151.0 nM 443.67 CCCCCCCC/C=CCCCCCCCC(=O)N[C@@H](CCc1ccccc1)C(=O)O Homo sapiens CHEMBL4481230 cell-based format
CHEMBL4562110 OBDepict CH 3 N H O H O HO H 2 N ClH IC50 = 152.0 nM 419.05 CCCCCCCC/C=CCCCCCCCC(=O)N[C@@H](CCN)C(=O)O.Cl Homo sapiens CHEMBL4481230 cell-based format
CHEMBL153331 OBDepict OH N H NH O IC50 = 170.0 nM 402.54 O=C(NCCCCc1ccccc1)c1ccccc1CNCCc1ccc(O)cc1 Homo sapiens CHEMBL680555 assay format
CHEMBL3325510 OBDepict OH N N H O O F F F IC50 = 181.0 nM 436.47 O=C(NC1CCN(CCCO)CC1)c1ccc(COc2ccc(C(F)(F)F)cc2)cc1 Homo sapiens CHEMBL3390091 cell-based format
CHEMBL4549529 OBDepict CH 3 N H O H O HO H 2 N ClH IC50 = 182.0 nM 405.02 CCCCCCCC/C=CCCCCCCCC(=O)N[C@@H](CN)C(=O)O.Cl Homo sapiens CHEMBL4481230 cell-based format
CHEMBL4228763 OBDepict H 3 C N H O H O HO IC50 = 214.0 nM 429.65 CCCCCCCC/C=CCCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)O Homo sapiens CHEMBL4481230 cell-based format
CHEMBL88573 OBDepict CH 3 O O O CH 3 H 3 C N H O N H 3 C CH 3 IC50 = 214.0 nM 392.54 CCCCOc1c(OC)cc(C(=O)NCC2(N(C)C)CCCCC2)cc1OC Homo sapiens CHEMBL680554 single protein format
CHEMBL3325490 OBDepict H 3 C N N N H O O CH 3 CH 3 CH 3 IC50 = 250.0 nM 449.64 CN1CCC(N2CCC(NC(=O)c3ccc(COc4ccc(C(C)(C)C)cc4)cc3)C2)CC1 Homo sapiens CHEMBL3390091 cell-based format
CHEMBL4576431 OBDepict CH 3 N H O H O HO S H 3 C IC50 = 259.0 nM 413.67 CCCCCCCC/C=CCCCCCCCC(=O)N[C@H](CCSC)C(=O)O Homo sapiens CHEMBL4481230 cell-based format
CHEMBL4526987 OBDepict CH 3 N H O H O HO H 3 C IC50 = 259.0 nM 395.63 CCCCCCCC/C=CCCCCCCCC(=O)N[C@@H](CCCC)C(=O)O Homo sapiens CHEMBL4481230 cell-based format
CHEMBL433739 OBDepict OH N H NH O IC50 = 300.0 nM 400.52 O=C(NCC/C=Cc1ccccc1)c1ccccc1CNCCc1ccc(O)cc1 Homo sapiens CHEMBL680555 assay format
CHEMBL4559571 OBDepict H 3 C N H O H O HO N N H ClH IC50 = 313.0 nM 456.07 CCCCCCCC/C=CCCCCCCCC(=O)N[C@H](Cc1cnc[nH]1)C(=O)O.Cl Homo sapiens CHEMBL4481230 cell-based format
CHEMBL239603 OBDepict HO N O N N O Cl IC50 = 319.0 nM 496.05 OCC1CCCN(CCCC2CCCc3ccc(OCc4noc(-c5ccc(Cl)cc5)n4)cc32)C1 Homo sapiens CHEMBL903409 cell-based format
CHEMBL150522 OBDepict OH N N H O IC50 = 320.0 nM 426.56 O=C(NCC/C=C/c1ccccc1)c1ccccc1CN1CCCc2cc(O)ccc2C1 Homo sapiens CHEMBL680555 assay format
CHEMBL153521 OBDepict OH N H N H O IC50 = 330.0 nM 402.54 O=C(NCCCCc1ccccc1)c1ccccc1CNCCc1cccc(O)c1 Homo sapiens CHEMBL680555 assay format
CHEMBL3325504 OBDepict CH 3 N N H O O F F F IC50 = 330.0 nM 434.5 CCCCN1CCC(NC(=O)c2ccc(COc3ccc(C(F)(F)F)cc3)cc2)CC1 Homo sapiens CHEMBL3390091 cell-based format
CHEMBL4531406 OBDepict CH 3 O O H + N CH 3 H 3 C CH 3 O _ O IC50 = 340.0 nM 425.65 CCCCCCCC/C=CCCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C Homo sapiens CHEMBL4481260 cell-based format
CHEMBL3325498 OBDepict CH 3 N N N H O O Cl Cl IC50 = 361.0 nM 462.42 CN1CCC(N2CCC(NC(=O)c3ccc(COc4ccc(Cl)c(Cl)c4)cc3)C2)CC1 Homo sapiens CHEMBL3390091 cell-based format
CHEMBL3325500 OBDepict CH 3 N N H N H O O F F F IC50 = 363.0 nM 461.53 CN1CCC(N2CC[C@@H](NC(=O)c3ccc(COc4ccc(C(F)(F)F)cc4)cc3)C2)CC1 Homo sapiens CHEMBL3390091 cell-based format
CHEMBL150505 OBDepict OH N H NH O O F F F IC50 = 370.0 nM 486.53 O=C(NCCCCc1ccc(OC(F)(F)F)cc1)c1ccccc1CNCCc1ccc(O)cc1 Homo sapiens CHEMBL680555 assay format
CHEMBL394236 OBDepict HO N O N N O F IC50 = 385.0 nM 479.6 OCC1CCCN(CCCC2CCCc3ccc(OCc4noc(-c5ccccc5F)n4)cc32)C1 Homo sapiens CHEMBL903409 cell-based format
CHEMBL239605 OBDepict OH N O N F IC50 = 401.0 nM 488.65 OCC1CCCN(CCCC2CCCc3ccc(OCc4ccc(-c5ccccc5F)cn4)cc32)C1 Homo sapiens CHEMBL903409 cell-based format
CHEMBL3325496 OBDepict CH 3 N N N H O O Cl Cl IC50 = 431.0 nM 462.42 CN1CCC(N2CCC(NC(=O)c3ccc(COc4ccc(Cl)cc4Cl)cc3)C2)CC1 Homo sapiens CHEMBL3390091 cell-based format
CHEMBL3325494 OBDepict CH 3 N N N H O O Cl IC50 = 440.0 nM 427.98 CN1CCC(N2CCC(NC(=O)c3ccc(COc4ccc(Cl)cc4)cc3)C2)CC1 Homo sapiens CHEMBL3390091 cell-based format
CHEMBL4439878 OBDepict HO O S N H N O N H N O H IC50 = 478.0 nM 256.24 O=C(O)CCSc1[nH]c(=O)nc2[nH]c(=O)[nH]c12 Homo sapiens CHEMBL4434264 cell-based format
CHEMBL4515758 OBDepict CH 3 N H O H O HO HO IC50 = 496.0 nM 369.55 CCCCCCCC/C=CCCCCCCCC(=O)N[C@@H](CO)C(=O)O Homo sapiens CHEMBL4481230 cell-based format
CHEMBL226118 OBDepict CH 3 N H O O HO IC50 = 500.0 nM 339.52 CCCCCCCC/C=CCCCCCCCC(=O)NCC(=O)O Homo sapiens CHEMBL4481230 cell-based format
CHEMBL3325489 OBDepict O N H N O N CH 3 CH 3 H 3 C IC50 = 516.0 nM 525.74 CC(C)(C)c1ccc(OCc2ccc(C(=O)NC3CCN(C4CCN(Cc5ccccc5)CC4)C3)cc2)cc1 Homo sapiens CHEMBL3390091 cell-based format
CHEMBL4452842 OBDepict OH O S N N N H N O H IC50 = 518.0 nM 268.3 O=C(O)CCCCSc1ncnc2[nH]c(=O)[nH]c12 Homo sapiens CHEMBL4434264 cell-based format
CHEMBL393168 OBDepict F O N N O N N IC50 = 531.0 nM 462.57 Fc1ccccc1-c1nc(COc2ccc3c(c2)C(N2CCN(C4CCCC4)CC2)CC3)no1 Homo sapiens CHEMBL903409 cell-based format
CHEMBL4559157 OBDepict CH 3 N H O H 2 N ClH IC50 = 560.0 nM 403.1 CCCCCCCC/C=CCCCCCCCC(=O)NCCCCCN.Cl Homo sapiens CHEMBL4481230 cell-based format
CHEMBL88800 OBDepict CH 3 O O O CH 3 H 3 C N H O N H 3 C CH 3 IC50 = 566.0 nM 400.52 CCCCOc1c(OC)cc(C(=O)NCC(c2ccccc2)N(C)C)cc1OC Homo sapiens CHEMBL680554 single protein format
CHEMBL3392050 OBDepict CH 3 O O H + N CH 3 H 3 C CH 3 O _ O IC50 = 600.0 nM 399.62 CCCCCCCCCCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C Homo sapiens CHEMBL4481260 cell-based format
CHEMBL4526841 OBDepict CH 3 N H O H O OH O NH 2 IC50 = 613.0 nM 396.57 CCCCCCCC/C=CCCCCCCCC(=O)N[C@@H](CC(N)=O)C(=O)O Homo sapiens CHEMBL4481230 cell-based format
CHEMBL150836 OBDepict OH N H N H O IC50 = 670.0 nM 416.57 O=C(NCCCCc1ccccc1)c1ccccc1CNCCCc1ccc(O)cc1 Homo sapiens CHEMBL680555 assay format
CHEMBL91325 OBDepict H 3 C O O O H 3 C CH 3 NH O N CH 3 H 3 C CH 3 CH 3 IC50 = 696.0 nM 352.48 CCCCOc1c(OC)cc(C(=O)NCC(C)(C)N(C)C)cc1OC Homo sapiens CHEMBL680554 single protein format
CHEMBL392350 OBDepict CH 3 N N O CH 3 CH 3 N N O F IC50 = 857.0 nM 492.64 CCN(Cc1cccc(OCc2noc(-c3ccccc3F)n2)c1)C1CCN(C2CC(C)C(C)C2)C1 Homo sapiens CHEMBL903409 cell-based format
CHEMBL4228903 OBDepict CH 3 O O O CH 3 H 3 C N H O N H 3 C CH 3 O IC50 = 860.0 nM 394.51 CCCCOc1c(OC)cc(C(=O)NCC2(N(C)C)CCOCC2)cc1OC Homo sapiens CHEMBL4219915 single protein format
CHEMBL4545242 OBDepict CH 3 N H O H O OH O OH IC50 = 865.0 nM 397.56 CCCCCCCC/C=CCCCCCCCC(=O)N[C@@H](CC(=O)O)C(=O)O Homo sapiens CHEMBL4481230 cell-based format
CHEMBL3325497 OBDepict CH 3 N N N H O O Cl IC50 = 869.0 nM 427.98 CN1CCC(N2CCC(NC(=O)c3ccc(COc4cccc(Cl)c4)cc3)C2)CC1 Homo sapiens CHEMBL3390091 cell-based format
CHEMBL3325449 OBDepict CH 3 N N N H O O IC50 = 879.0 nM 393.53 CN1CCC(N2CCC(NC(=O)c3ccc(COc4ccccc4)cc3)C2)CC1 Homo sapiens CHEMBL3390091 cell-based format
CHEMBL4543598 OBDepict CH 3 N H O H O HO H 3 C CH 3 IC50 = 1000.0 nM 381.6 CCCCCCCC/C=CCCCCCCCC(=O)N[C@@H](C(=O)O)C(C)C Homo sapiens CHEMBL4481230 cell-based format