BioLiP

PDB

BioLiP

PDB CCD ID:

FI6

Number of entries in BioLiP:

Chemical formula:

C32 H28 F3 N5 O4

InChI:

InChI=1S/C32H28F3N5O4/c1-3-43-25-14-10-24(11-15-25)40-30(38-29-27(31(40)42)7-5-17-37-29)21(2)39(20-23-6-4-16-36-19-23)28(41)18-22-8-12-26(13-9-22)44-32(33,34)35/h4-17,19,21H,3,18,20H2,1-2H3/t21-/m1/s1

InChIKey:

WQTKNBPCJKRYPA-OAQYLSRUSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCOc1ccc(cc1)N2C(=O)c3cccnc3N=C2[CH](C)N(Cc4cccnc4)C(=O)Cc5ccc(OC(F)(F)F)cc5
OpenEye OEToolkits 2.0.7	CCOc1ccc(cc1)N2C(=O)c3cccnc3N=C2C(C)N(Cc4cccnc4)C(=O)Cc5ccc(cc5)OC(F)(F)F
CACTVS 3.385	CCOc1ccc(cc1)N2C(=O)c3cccnc3N=C2[C@@H](C)N(Cc4cccnc4)C(=O)Cc5ccc(OC(F)(F)F)cc5
OpenEye OEToolkits 2.0.7	CCOc1ccc(cc1)N2C(=O)c3cccnc3N=C2[C@@H](C)N(Cc4cccnc4)C(=O)Cc5ccc(cc5)OC(F)(F)F

Name:

N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyloxy)phenyl]ethanamide;
(+/-)-AMG 487

ChEMBL:

CHEMBL397983

ZINC:

ZINC000003842037

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).