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P41586 | PACR_HUMAN | Pituitary adenylate cyclase-activating polypeptide type I receptor (ADCYAP1R1)

3D structures mapped by conservation among orthologs

[ Domain: "Hormone receptor domain (HRM, Pfam 02793)" // HRM ]

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[ 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
CHEMBL4740931 OBDepict O N H N O N N N N H H Cl IC50 < 0.01 nM 372.82 O=C(NCCc1c[nH]cn1)C1CC(=O)N(c2n[nH]c3c(Cl)cccc23)C1 Homo sapiens CHEMBL4682704 cell-based format
CHEMBL4757203 OBDepict O N H N O N N N N H H IC50 = 0.182 nM 338.37 O=C(NCCc1c[nH]cn1)C1CC(=O)N(c2n[nH]c3ccccc23)C1 Homo sapiens CHEMBL4682704 cell-based format
CHEMBL348785 OBDepict CH 3 O O O N H 3 C N H O CH 3 CH 3 Cl OH Ki = 56.0 nM 482.96 COc1cc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)cc(OC)c1OCc1ccc(C(C)C)cc1 Homo sapiens CHEMBL949341 cell-based format
CHEMBL152640 OBDepict N OH N H O N N H 3 C CH 3 H 3 C CH 3 Ki = 72.0 nM 450.54 Cc1cc(C)c(C)c(Cn2ccc3c(/C=N/NC(=O)c4ccc(O)c(C#N)c4)cccc32)c1C Homo sapiens CHEMBL949341 cell-based format
CHEMBL411120 OBDepict O HN N Cl OH N F F F Ki = 85.0 nM 471.87 O=C(N/N=C/c1cccc2c1ccn2Cc1cccc(C(F)(F)F)c1)c1ccc(O)c(Cl)c1 Homo sapiens CHEMBL949341 cell-based format
CHEMBL270677 OBDepict CH 3 O O O N H 3 C N H O F F F Cl OH Ki = 140.0 nM 508.88 COc1cc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)cc(OC)c1OCc1ccc(C(F)(F)F)cc1 Homo sapiens CHEMBL949341 cell-based format
CHEMBL409325 OBDepict CH 3 O O H 3 C O N HN O Cl H 3 C CH 3 OH Ki = 152.0 nM 482.96 COc1cc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)cc(OCc2ccc(C(C)C)cc2)c1OC Homo sapiens CHEMBL949341 cell-based format
CHEMBL270226 OBDepict CH 3 O O H 3 C O N N H O CH 3 CH 3 H 3 C CH 3 Cl OH Ki = 167.0 nM 496.99 COc1cc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)cc(OCc2c(C)c(C)cc(C)c2C)c1OC Homo sapiens CHEMBL949341 cell-based format
CHEMBL256379 OBDepict CH 3 O O O N H 3 C N H O Cl OH Ki = 185.0 nM 440.88 COc1cc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)cc(OC)c1OCc1ccccc1 Homo sapiens CHEMBL949341 cell-based format
CHEMBL409729 OBDepict CH 3 O O O N H 3 C N H O F F F Cl OH Ki = 204.0 nM 508.88 COc1cc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)cc(OC)c1OCc1cccc(C(F)(F)F)c1 Homo sapiens CHEMBL949341 cell-based format
CHEMBL404071 OBDepict O N H N Cl OH O F F F Ki = 241.0 nM 448.83 O=C(N/N=C/c1cccc(COc2ccc(C(F)(F)F)cc2)c1)c1ccc(O)c(Cl)c1 Homo sapiens CHEMBL949341 cell-based format
CHEMBL272122 OBDepict O N H N Cl HO O F F F Ki = 274.0 nM 448.83 O=C(N/N=C/c1cccc(COc2cccc(C(F)(F)F)c2)c1)c1ccc(O)c(Cl)c1 Homo sapiens CHEMBL949341 cell-based format
CHEMBL269990 OBDepict CH 3 O O N N H O F F F Cl OH Ki = 404.0 nM 478.85 COc1cc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)ccc1OCc1cccc(C(F)(F)F)c1 Homo sapiens CHEMBL949341 cell-based format
CHEMBL272118 OBDepict O N H N Cl OH O Ki = 522.0 nM 380.83 O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccc(O)c(Cl)c1 Homo sapiens CHEMBL949341 cell-based format
CHEMBL256837 OBDepict O N H N Cl OH O F F F Ki = 537.0 nM 448.83 O=C(N/N=C/c1ccc(OCc2cccc(C(F)(F)F)c2)cc1)c1ccc(O)c(Cl)c1 Homo sapiens CHEMBL949341 cell-based format
CHEMBL255824 OBDepict O N H N Cl HO O F F F Ki = 554.0 nM 448.83 O=C(N/N=C/c1cccc(OCc2cccc(C(F)(F)F)c2)c1)c1ccc(O)c(Cl)c1 Homo sapiens CHEMBL949341 cell-based format
CHEMBL153038 OBDepict O N H N Cl HO N CH 3 CH 3 Ki = 604.0 nM 445.95 CC(C)c1ccc(Cn2ccc3c(/C=N/NC(=O)c4ccc(O)c(Cl)c4)cccc32)cc1 Homo sapiens CHEMBL949341 cell-based format