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Q01726 | MSHR_HUMAN | Melanocyte-stimulating hormone receptor (MC1R)

3D structures mapped by conservation among orthologs



[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL373821 OBDepict O N H H N IC50 = 1.3 nM 334.46 O=C(Cc1ccccc1)N1C[C@@H]2CCCN2C[C@H]1Cc1ccccc1 Homo sapiens CHEMBL908720 cell-based format
CHEMBL218748 OBDepict O N H H N IC50 = 2.2 nM 334.46 O=C(Cc1ccccc1)N1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1 Homo sapiens CHEMBL908720 cell-based format
CHEMBL435923 OBDepict O N H H N N H IC50 = 4.0 nM 387.53 O=C(CCc1c[nH]c2ccccc12)N1C[C@@H]2CCCN2C[C@H]1Cc1ccccc1 Homo sapiens CHEMBL908720 cell-based format
CHEMBL275067 OBDepict H 3 C O N O N H H O N H H O N O CH 3 H 3 C N H IC50 = 5.1 nM 587.72 CCCC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@@H](Cc2c[nH]cn2)NC(C)=O)CC1 Homo sapiens CHEMBL716493 single protein format
CHEMBL276012 OBDepict CH 3 O N O HN H O HO H O N CH 3 N H IC50 = 5.5 nM 546.67 CCCC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@H](O)Cc2c[nH]cn2)CC1 Homo sapiens CHEMBL716493 single protein format
CHEMBL276301 OBDepict CH 3 O N O NH H O O N H 3 C N H IC50 = 18.0 nM 530.67 CCCC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)CCc2c[nH]cn2)CC1 Homo sapiens CHEMBL716493 single protein format
CHEMBL183434 OBDepict NH 2 N N O NH H O H HN Cl Ki = 27.0 nM 532.09 NCc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 Homo sapiens CHEMBL829732 cell-based format
CHEMBL206033 OBDepict NH 2 HN HN H N H O O HN H O H N H Ki = 30.0 nM 582.75 N=C(N)NCCC[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1Cc2ccccc2CN1 Homo sapiens CHEMBL866556 single protein format
CHEMBL446941 OBDepict CH 3 O N O HN H O H 2 N H O N CH 3 N H IC50 = 32.0 nM 545.68 CCCC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@H](N)Cc2c[nH]cn2)CC1 Homo sapiens CHEMBL716493 single protein format
CHEMBL213956 OBDepict NH 2 N H NH H N H O O N H H O H HN Ki = 40.0 nM 584.76 N=C(N)NCCC[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCCN1 Homo sapiens CHEMBL853374 cell-based format
CHEMBL375440 OBDepict H 2 N N H NH H N H O O NH H O H N H Ki = 55.0 nM 570.74 N=C(N)NCCC[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1 Homo sapiens CHEMBL853374 cell-based format
CHEMBL443396 OBDepict H 3 C N H O N H O N H O N H 2 N H NH NH H 2 N F Ki = 63.0 nM 574.66 CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](C/C=N/NC(=N)N)C1=O Homo sapiens CHEMBL1027396 cell-based format
CHEMBL380437 OBDepict NH 2 NH HN H N H O O H H NH Ki = 71.0 nM 567.78 N=C(N)NCCC[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)[C@H](CC[C@H]1Cc2ccccc2CN1)Cc1ccccc1 Homo sapiens CHEMBL866556 single protein format
CHEMBL209622 OBDepict NH 2 N NH 2 H N H O O N H H O H 2 N H O H 2 N Ki = 103.0 nM 587.73 NC(=O)C[C@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N Homo sapiens CHEMBL853374 cell-based format
CHEMBL14642 OBDepict CH 3 O N O NH H O NH 2 H O N H 3 C N CH 3 IC50 = 120.0 nM 559.71 CCCC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@@H](N)Cc2cncn2C)CC1 Homo sapiens CHEMBL716493 single protein format
CHEMBL210011 OBDepict H 2 N NH HN H N H O O N H H O NH Ki = 125.0 nM 584.76 N=C(N)NCCC[C@H]1C[C@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCCCN1 Homo sapiens CHEMBL853374 cell-based format
CHEMBL452710 OBDepict CH 3 H N O N O HN H H N H O O H 3 C N H CH 3 F Ki = 271.0 nM 589.71 CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)CNC Homo sapiens CHEMBL1027396 cell-based format
CHEMBL213752 OBDepict H 2 N NH HN H N H O O N H H O NH Ki = 340.0 nM 584.76 N=C(N)NCCC[C@@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCCCN1 Homo sapiens CHEMBL853374 cell-based format
CHEMBL184432 OBDepict Cl Cl HN O N N HN H H 3 C H CH 3 NH Ki = 360.0 nM 530.54 C[C@H]1CN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)[C@H](C)CN1 Homo sapiens CHEMBL827181 single protein format
CHEMBL378837 OBDepict H 3 C N H O N H O N H O H 2 N H N NH 2 H 2 N F Ki = 366.0 nM 575.69 CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](CCCN=C(N)N)C1=O Homo sapiens CHEMBL910337 single protein format
CHEMBL379879 OBDepict H 2 N N NH 2 H N H O O NH 2 H Ki = 381.0 nM 473.62 NC(N)=NCCC[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@H](N)Cc1ccccc1 Homo sapiens CHEMBL853374 cell-based format
CHEMBL184275 OBDepict Cl Cl HN O N H N N NH Ki = 400.0 nM 502.49 O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(N/C(=N/C2CCCCC2)N2CCNCC2)cc1 Homo sapiens CHEMBL827181 single protein format
CHEMBL378571 OBDepict NH 2 N NH 2 H N H O O N H H O H 2 N H O H 2 N Ki = 443.0 nM 587.73 NC(=O)C[C@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@H]1CCCN=C(N)N Homo sapiens CHEMBL853374 cell-based format
CHEMBL212766 OBDepict CH 3 N H O H N O H H O N NH 2 H 2 N Ki = 463.0 nM 515.66 CC(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N Homo sapiens CHEMBL853374 cell-based format
CHEMBL180937 OBDepict O HN NH H N O N Cl N N N Ki = 530.0 nM 576.15 O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(C2(Cn3cncn3)CCCC2)CC1)C1Cc2ccccc2CN1 Homo sapiens CHEMBL830234 single protein format
CHEMBL211975 OBDepict H 3 C N H O N H O N H O H 2 N H N NH 2 H 2 N Ki = 659.0 nM 557.7 CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccccc2)[C@@H](CCCN=C(N)N)C1=O Homo sapiens CHEMBL910337 single protein format
CHEMBL267020 OBDepict H 2 N N NH 2 NH 2 H N O Ki = 690.0 nM 453.59 NC(N)=NCCC[C@H](N)C(=O)N(Cc1ccc2ccccc2c1)Cc1cccc2ccccc12 Homo sapiens CHEMBL716054 single protein format
CHEMBL269776 OBDepict H 2 N NH O N H H N H N H Ki = 700.0 nM 429.57 NCCCNC(=O)[C@H](CNCc1c[nH]c2ccccc12)NCc1ccc2ccccc2c1 Homo sapiens CHEMBL716054 single protein format
CHEMBL339053 OBDepict O NH H NH H N O Cl N N N Ki = 760.0 nM 589.18 O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(C2CCCCC2)CC1)[C@H]1Cc2ccccc2CN1 Homo sapiens CHEMBL830234 single protein format
CHEMBL449050 OBDepict CH 3 H N O N O HN H H N H O O H 3 C O CH 3 F Ki = 889.0 nM 590.7 CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)COC Homo sapiens CHEMBL1027396 cell-based format
CHEMBL215576 OBDepict H 3 C N H O N H O N H O N NH 2 H 2 N F Ki = 958.0 nM 560.67 CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)CCc2ccc(F)cc2)[C@@H](CCCN=C(N)N)C1=O Homo sapiens CHEMBL910337 single protein format
CHEMBL1209253 OBDepict F F H N H N O CH 3 H 3 C CH 3 N N S O O H 3 C H 3 C CH 3 IC50 = 1000.0 nM 596.83 CC(C)N(CC(C1CCCCC1)N1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)S(C)(=O)=O Homo sapiens CHEMBL1212689 cell-based format