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P46093 | GPR4_HUMAN | G-protein coupled receptor 4 (GPR4)

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
CHEMBL3675744 OBDepict CH 3 N N N CH 3 H 3 C N O N H H H 2 N IC50 = 5.0 nM 430.56 CCc1nn2c(C)cc(C)nc2c1Cc1ccc(-c2nnc([C@H]3CC[C@H](N)CC3)o2)cc1 Homo sapiens CHEMBL3705172 assay format
CHEMBL3670942 OBDepict CH 3 N N N CH 3 H 3 C N N H H 3 C N H 3 C CH 3 IC50 = 7.0 nM 460.67 CCc1nn2c(C)cc(C)nc2c1Cc1ccc(/C=C/CN2CCN(C)[C@@H](CN(C)C)C2)cc1 Homo sapiens CHEMBL3705172 assay format
CHEMBL3675724 OBDepict CH 3 N N N CH 3 H 3 C N HN IC50 = 10.0 nM 389.55 CCc1nn2c(C)cc(C)nc2c1Cc1ccc(/C=C/CN2CCNCC2)cc1 Homo sapiens CHEMBL3705172 assay format
CHEMBL3639746 OBDepict CH 3 N N N CH 3 H 3 C N N H 3 C CH 3 IC50 = 13.0 nM 433.64 CCc1nn2c(C)cc(C)nc2c1Cc1ccc(CCCN2CCN(C(C)C)CC2)cc1 Homo sapiens CHEMBL3705172 assay format
CHEMBL3670934 OBDepict CH 3 N N N CH 3 H 3 C HO N H H CH 3 IC50 = 15.0 nM 418.59 CCc1nn2c(C)cc(C)nc2c1Cc1ccc(/C=C/C[C@]2(O)CCN[C@@H](C)C2)cc1 Homo sapiens CHEMBL3705172 assay format
CHEMBL3675745 OBDepict CH 3 N N N CH 3 H 3 C N O N N O HN H OH CH 3 IC50 = 15.0 nM 517.63 CCc1nn2c(C)cc(C)nc2c1Cc1ccc(-c2nnc(C3CCN(C(=O)[C@H](CO)NC)CC3)o2)cc1 Homo sapiens CHEMBL3705172 assay format
CHEMBL3675731 OBDepict H 3 C N N N CH 3 H 3 C O N O H N H H OH IC50 = 19.0 nM 491.64 CCc1nn2c(C)cc(C)nc2c1Cc1ccc(OCC2CCN(C(=O)[C@H]3NCC[C@H]3O)CC2)cc1 Homo sapiens CHEMBL3705172 assay format
CHEMBL3670938 OBDepict CH 3 N N N CH 3 H 3 C N HN H H 3 C IC50 = 19.0 nM 403.57 CCc1nn2c(C)cc(C)nc2c1Cc1ccc(/C=C/CN2CCN[C@@H](C)C2)cc1 Homo sapiens CHEMBL3705172 assay format
CHEMBL3675738 OBDepict H 3 C N N N H 3 C CH 3 N N N NH 2 IC50 = 21.0 nM 415.55 CCc1nn2c(C)cc(C)nc2c1Cc1ccc(-n2cc(CN3CC(N)C3)cn2)cc1 Homo sapiens CHEMBL3705172 assay format
CHEMBL3675730 OBDepict CH 3 N N N CH 3 H 3 C O N H IC50 = 22.0 nM 378.52 CCc1nn2c(C)cc(C)nc2c1Cc1ccc(OCC2CCNCC2)cc1 Homo sapiens CHEMBL3705172 assay format
CHEMBL3670935 OBDepict CH 3 N N N CH 3 H 3 C OH N OH H HO IC50 = 24.0 nM 478.64 CCc1nn2c(C)cc(C)nc2c1Cc1ccc(/C=C/CC2(O)CCN(C[C@@H](O)CO)CC2)cc1 Homo sapiens CHEMBL3705172 assay format
CHEMBL3675739 OBDepict CH 3 N N N CH 3 H 3 C N N N H 2 N IC50 = 26.0 nM 443.6 CCc1nn2c(C)cc(C)nc2c1Cc1ccc(-n2cc(CN3CCC(N)CC3)cn2)cc1 Homo sapiens CHEMBL3705172 assay format
CHEMBL3670937 OBDepict CH 3 N N N CH 3 H 3 C N HN H HO IC50 = 28.0 nM 419.57 CCc1nn2c(C)cc(C)nc2c1Cc1ccc(/C=C/CN2CCN[C@H](CO)C2)cc1 Homo sapiens CHEMBL3705172 assay format
CHEMBL3675727 OBDepict CH 3 N N N H 3 C H 3 C N N OH H O Si H 3 C CH 3 H 3 C H 3 C CH 3 IC50 = 30.0 nM 577.89 CCc1nn2c(C)cc(C)nc2c1Cc1ccc(/C=C/CN2CCN(C[C@@H](O)CO[Si](C)(C)C(C)(C)C)CC2)cc1 Homo sapiens CHEMBL3705172 assay format
CHEMBL3670939 OBDepict CH 3 O H HN N N N N CH 3 CH 3 CH 3 IC50 = 33.0 nM 433.6 CCc1nn2c(C)cc(C)nc2c1Cc1ccc(/C=C/CN2CCN[C@H](COC)C2)cc1 Homo sapiens CHEMBL3705172 assay format
CHEMBL3670941 OBDepict CH 3 N N N CH 3 H 3 C N N N N H 3 C N IC50 = 33.0 nM 470.63 CCc1nn2c(C)cc(C)nc2c1Cc1ccc(/C=C/CN2CCC(c3nnnn3C)CC2)cc1 Homo sapiens CHEMBL3705172 assay format
CHEMBL3670936 OBDepict CH 3 N N N CH 3 H 3 C OH N O N H 3 C O O H 3 C H 3 C CH 3 IC50 = 34.0 nM 575.75 CCc1nn2c(C)cc(C)nc2c1Cc1ccc(/C=C/CC2(O)CCN(C(=O)CN(C)C(=O)OC(C)(C)C)CC2)cc1 Homo sapiens CHEMBL3705172 assay format
CHEMBL3670931 OBDepict H 3 C N N N H 3 C H 3 C HO N O O CH 3 CH 3 H 3 C IC50 = 34.0 nM 476.62 CCc1nn2c(C)cc(C)nc2c1Cc1ccc(/C=C/CC2(O)CN(C(=O)OC(C)(C)C)C2)cc1 Homo sapiens CHEMBL3705172 assay format
CHEMBL3675726 OBDepict CH 3 N N N CH 3 H 3 C N N O H N H H OH IC50 = 35.0 nM 502.66 CCc1nn2c(C)cc(C)nc2c1Cc1ccc(/C=C/CN2CCN(C(=O)[C@H]3NCC[C@H]3O)CC2)cc1 Homo sapiens CHEMBL3705172 assay format
CHEMBL3675732 OBDepict CH 3 N N N CH 3 H 3 C O H H H 2 N IC50 = 35.0 nM 392.55 CCc1nn2c(C)cc(C)nc2c1Cc1ccc(OC[C@H]2CC[C@@H](N)CC2)cc1 Homo sapiens CHEMBL3705172 assay format
CHEMBL3670940 OBDepict NH 2 N O N N N N CH 3 CH 3 CH 3 IC50 = 38.0 nM 446.6 CCc1nn2c(C)cc(C)nc2c1Cc1ccc(/C=C/CN2CCN(C(=O)CN)CC2)cc1 Homo sapiens CHEMBL3705172 assay format
CHEMBL3675741 OBDepict CH 3 N N N CH 3 H 3 C N N N N HN IC50 = 38.0 nM 430.56 CCc1nn2c(C)cc(C)nc2c1Cc1ccc(-n2cc(CN3CCNCC3)nn2)cc1 Homo sapiens CHEMBL3705172 assay format
CHEMBL3675740 OBDepict CH 3 N N N CH 3 H 3 C N N N HN IC50 = 43.0 nM 429.57 CCc1nn2c(C)cc(C)nc2c1Cc1ccc(-n2cc(CN3CCNCC3)cn2)cc1 Homo sapiens CHEMBL3705172 assay format
CHEMBL3670932 OBDepict CH 3 N N N CH 3 H 3 C HO N H IC50 = 44.0 nM 404.56 CCc1nn2c(C)cc(C)nc2c1Cc1ccc(/C=C/CC2(O)CCNCC2)cc1 Homo sapiens CHEMBL3705172 assay format
CHEMBL3675735 OBDepict CH 3 N N N CH 3 H 3 C O N N O O H 3 C CH 3 H 3 C IC50 = 44.0 nM 493.65 CCc1nn2c(C)cc(C)nc2c1Cc1ccc(OCCN2CCN(C(=O)OC(C)(C)C)CC2)cc1 Homo sapiens CHEMBL3705172 assay format
CHEMBL3670930 OBDepict CH 3 N N N CH 3 H 3 C HO N O O H 3 C H 3 C CH 3 IC50 = 45.0 nM 490.65 CCc1nn2c(C)cc(C)nc2c1Cc1ccc(/C=C/C2(O)CCN(C(=O)OC(C)(C)C)CC2)cc1 Homo sapiens CHEMBL3705172 assay format
CHEMBL3670933 OBDepict CH 3 N N N CH 3 H 3 C OH N O O H 3 C H 3 C CH 3 IC50 = 47.0 nM 506.69 CCc1nn2c(C)cc(C)nc2c1Cc1ccc(CCCC2(O)CCN(C(=O)OC(C)(C)C)CC2)cc1 Homo sapiens CHEMBL3705172 assay format
CHEMBL3675725 OBDepict CH 3 N N N CH 3 H 3 C N N O N H H HO H 3 C IC50 = 51.0 nM 490.65 CCc1nn2c(C)cc(C)nc2c1Cc1ccc(/C=C/CN2CCN(C(=O)[C@H](CO)NC)CC2)cc1 Homo sapiens CHEMBL3705172 assay format
CHEMBL3675729 OBDepict H 3 C N N N H 3 C H 3 C N O N O O CH 3 CH 3 H 3 C IC50 = 54.0 nM 505.66 CCc1nn2c(C)cc(C)nc2c1Cc1ccc(CCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 Homo sapiens CHEMBL3705172 assay format
CHEMBL3675733 OBDepict CH 3 N N N CH 3 H 3 C O H H N H O H N H H OH IC50 = 54.0 nM 505.66 CCc1nn2c(C)cc(C)nc2c1Cc1ccc(OC[C@H]2CC[C@@H](NC(=O)[C@H]3NCC[C@H]3O)CC2)cc1 Homo sapiens CHEMBL3705172 assay format
CHEMBL3675746 OBDepict CH 3 N N N CH 3 H 3 C N N H 3 C CH 3 IC50 = 55.0 nM 431.63 CCc1nc2c(C)cc(C)nc2n1Cc1ccc(/C=C/CN2CCN(C(C)C)CC2)cc1 Homo sapiens CHEMBL3705172 assay format
CHEMBL3675736 OBDepict CH 3 O H HN N O N N N CH 3 CH 3 CH 3 IC50 = 59.0 nM 437.59 CCc1nn2c(C)cc(C)nc2c1Cc1ccc(OCCN2CCN[C@@H](COC)C2)cc1 Homo sapiens CHEMBL3705172 assay format
CHEMBL3675743 OBDepict CH 3 N N N CH 3 H 3 C N O N HN IC50 = 74.0 nM 416.53 CCc1nn2c(C)cc(C)nc2c1Cc1ccc(-c2nnc(C3CCNCC3)o2)cc1 Homo sapiens CHEMBL3705172 assay format
CHEMBL3675742 OBDepict CH 3 N N N CH 3 H 3 C N N N HO N O O H 3 C H 3 C CH 3 IC50 = 77.0 nM 545.69 CCc1nn2c(C)cc(C)nc2c1Cc1ccc(-n2cc(CC3(O)CCN(C(=O)OC(C)(C)C)CC3)nn2)cc1 Homo sapiens CHEMBL3705172 assay format
CHEMBL3675728 OBDepict CH 3 N N N CH 3 H 3 C N O N CH 3 IC50 = 81.0 nM 417.56 CCc1nn2c(C)cc(C)nc2c1Cc1ccc(/C=C/C(=O)N2CCN(C)CC2)cc1 Homo sapiens CHEMBL3705172 assay format
CHEMBL3675734 OBDepict CH 3 N N N CH 3 H 3 C O HO N H IC50 = 110.0 nM 408.55 CCc1nn2c(C)cc(C)nc2c1Cc1ccc(OCCC2(O)CCNCC2)cc1 Homo sapiens CHEMBL3705172 assay format
CHEMBL3675737 OBDepict H 3 C N N N H 3 C CH 3 N N N OH IC50 = 118.0 nM 416.53 CCc1nn2c(C)cc(C)nc2c1Cc1ccc(-n2cc(CN3CC(O)C3)cn2)cc1 Homo sapiens CHEMBL3705172 assay format