HOME LIGAND hPROTEOME OTHERS DOCUMENT

Q15125 | EBP_HUMAN | "3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase" (EBP)

3D structures mapped by conservation among orthologs

[ Domain: "Emopamil binding protein (EBP) transmembrane domain" // UNK_F_TYPE ]

download pymol session



[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL17470 OBDepict CH 3 CH 3 CH 3 N CH 3 CH 3 H H CH 3 H HO Ki = 0.6 nM 365.65 CC(C)CCCC(C)CCCC(C)N1CC[C@H]2[C@H](C)[C@@H](O)CC[C@]2(C)C1 Homo sapiens CHEMBL829736 assay format
CHEMBL28211 OBDepict CH 3 O O N Ki = 0.9 nM 425.57 COc1ccc2c(c1)CCC(c1ccccc1)=C2c1ccc(OCCN2CCCC2)cc1 Homo sapiens CHEMBL829736 assay format
CHEMBL81 OBDepict HO S O OH O N Ki = 1.0 nM 473.59 O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12 Homo sapiens CHEMBL829736 assay format
CHEMBL954 OBDepict CH 3 N CH 3 O Cl Ki = 1.0 nM 405.97 CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 Homo sapiens CHEMBL829736 assay format
CHEMBL365842 OBDepict CH 3 N H CH 3 O H H 3 C Ki = 1.0 nM 297.53 CCCCCCCCCCCCCN1C[C@H](C)O[C@H](C)C1 Homo sapiens CHEMBL829736 assay format
CHEMBL62540 OBDepict CH 3 N Ki = 1.0 nM 257.42 CCCCN1CCC2(CCCc3ccccc32)CC1 Homo sapiens CHEMBL829736 assay format
CHEMBL2311153 OBDepict CH 3 O O H H H N N Ki = 1.72 nM 367.52 COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1O[11CH3] Homo sapiens CHEMBL1776339 single protein format
CHEMBL408867 OBDepict CH 3 O O H 3 C N N Ki = 1.72 nM 368.52 COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OC Homo sapiens CHEMBL2352311 single protein format
CHEMBL167779 OBDepict CH 3 N CH 3 O Cl Ki = 2.0 nM 405.97 CCN(CC)CCOc1ccc(/C(=C(Cl)c2ccccc2)c2ccccc2)cc1 Homo sapiens CHEMBL829736 assay format
CHEMBL365141 OBDepict CH 3 N CH 3 O H CH 3 H H H CH 3 O Ki = 2.0 nM 387.61 CCN(CC)CCO[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 Homo sapiens CHEMBL829736 assay format
CHEMBL363884 OBDepict CH 3 N N CH 3 Ki = 2.0 nM 460.75 CCCCCCCCCCCCC(C#N)(CCCN(C)CCc1ccccc1)c1ccccc1 Homo sapiens CHEMBL829736 assay format
CHEMBL188476 OBDepict CH 3 N Cl Ki = 3.0 nM 359.99 CCN(C/C=C/c1ccc(C2CCCCC2)c(Cl)c1)C1CCCCC1 Homo sapiens CHEMBL829736 assay format
CHEMBL361085 OBDepict Cl HN H H N H Cl Ki = 4.0 nM 391.39 Clc1ccccc1CNC[C@H]1CC[C@H](CCNc2ccccc2Cl)CC1 Homo sapiens CHEMBL829736 assay format
CHEMBL83 OBDepict CH 3 O N CH 3 CH 3 Ki = 5.0 nM 371.52 CC/C(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 Homo sapiens CHEMBL829736 assay format
CHEMBL113830 OBDepict OH HO H N CH 3 H Ki = 5.0 nM 325.45 C[C@H]([C@@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 Homo sapiens CHEMBL829736 assay format
CHEMBL187615 OBDepict N CH 3 H 3 C N H 3 C Ki = 6.0 nM 334.51 CC(C)[C@](C#N)(CCCN(C)CCc1ccccc1)c1ccccc1 Homo sapiens CHEMBL829736 assay format
CHEMBL422 OBDepict CH 3 N N N S F F F Ki = 8.0 nM 407.51 CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 Homo sapiens CHEMBL829736 assay format
CHEMBL187709 OBDepict CH 3 N H 3 C O HO CH 3 Cl Ki = 11.0 nM 438.01 CCN(CC)CCOc1ccc(C(O)(Cc2ccc(Cl)cc2)c2ccc(C)cc2)cc1 Homo sapiens CHEMBL829736 assay format
CHEMBL370753 OBDepict HO N N N Ki = 13.0 nM 363.5 OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc32)CC1 Homo sapiens CHEMBL829736 assay format
CHEMBL190883 OBDepict CH 3 N H 3 C O O CH 3 Ki = 15.0 nM 355.52 CCCN(CCC)CCc1ccc(OC)c(OCCc2ccccc2)c1 Homo sapiens CHEMBL829736 assay format
CHEMBL187829 OBDepict N CH 3 H 3 C N H 3 C Ki = 18.0 nM 334.51 CC(C)[C@@](C#N)(CCCN(C)CCc1ccccc1)c1ccccc1 Homo sapiens CHEMBL829736 assay format
CHEMBL372700 OBDepict CH 3 N H CH 3 O H CH 3 H 3 C CH 3 H 3 C Ki = 30.0 nM 303.49 CC(Cc1ccc(C(C)(C)C)cc1)CN1C[C@H](C)O[C@H](C)C1 Homo sapiens CHEMBL829736 assay format
CHEMBL365722 OBDepict NH N H N H S N N H Ki = 39.0 nM 379.53 N=C(NCCSC(c1ccccc1)c1ccccc1)NCCc1c[nH]cn1 Homo sapiens CHEMBL829736 assay format
CHEMBL188044 OBDepict CH 3 O NH O O H 3 C N H 3 C CH 3 Ki = 51.0 nM 364.53 CCCCCCCOc1ccccc1NC(=O)OC(C)CN(CC)CC Homo sapiens CHEMBL829736 assay format
CHEMBL190631 OBDepict CH 3 CH 3 O O N N CH 3 CH 3 CH 3 CH 3 Ki = 54.0 nM 466.71 CC/C(=C(/CC)c1ccc(OCCN(CC)CC)cc1)c1ccc(OCCN(CC)CC)cc1 Homo sapiens CHEMBL829736 assay format
CHEMBL188921 OBDepict CH 3 O O O O CH 3 H 3 C N Ki = 60.0 nM 307.39 COc1cc(OC)c(C(=O)CCCN2CCCC2)c(OC)c1 Homo sapiens CHEMBL829736 assay format
CHEMBL15023 OBDepict F O N HO F F F Ki = 165.0 nM 409.42 O=C(CCCN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)c1ccc(F)cc1 Homo sapiens CHEMBL829736 assay format
CHEMBL54 OBDepict F O N HO Cl Ki = 190.0 nM 375.87 O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 Homo sapiens CHEMBL829736 assay format
CHEMBL1645202 OBDepict F O N Ki = 211.0 nM 325.43 FCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21 Homo sapiens CHEMBL1941657 single protein format
CHEMBL1939699 OBDepict F O N Ki = 233.0 nM 353.48 FCCCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21 Homo sapiens CHEMBL1941657 single protein format
CHEMBL363703 OBDepict H CH 3 N H H H 3 C H H CH 3 H H CH 3 H HO Ki = 441.0 nM 397.65 C[C@H]1CCC2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@@]43C)N2C1 Homo sapiens CHEMBL829736 assay format
CHEMBL363765 OBDepict H 3 C N N S N O Ki = 450.0 nM 381.55 CN(c1nc2ccccc2s1)C1CCN(CCCCOc2ccccc2)C1 Homo sapiens CHEMBL829736 assay format
CHEMBL575994 OBDepict F O N Ki = 455.0 nM 339.45 FCCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21 Homo sapiens CHEMBL1941657 single protein format
CHEMBL305593 OBDepict CH 3 CH 3 N H CH 3 CH 3 HO Ki = 500.0 nM 285.43 CC(C)=CCN1CC[C@@]2(C)c3cc(O)ccc3CC1[C@H]2C Homo sapiens CHEMBL829736 assay format
CHEMBL365417 OBDepict H 3 C N H O H H 3 C H H H 3 C H H H H 3 C H H OH Ki = 583.0 nM 415.66 CC1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C Homo sapiens CHEMBL829736 assay format
CHEMBL366154 OBDepict CH 3 O H H CH 3 H H H 3 C H N H H 3 C H H 3 C H OH Ki = 654.0 nM 425.66 CC1=C2C[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@]1(C)C[C@H](C)CN[C@H]1[C@H]2C Homo sapiens CHEMBL829736 assay format