BioLiP

PDB

BioLiP

PDB CCD ID:

HV0

Number of entries in BioLiP:

Chemical formula:

C29 H29 F3 N4 O3

InChI:

InChI=1S/C29H29F3N4O3/c1-19-27(26-17-25(38-2)13-16-36(26)34-19)28(37)33-18-20-3-7-23(8-4-20)35-14-11-22(12-15-35)21-5-9-24(10-6-21)39-29(30,31)32/h3-10,13,16-17,22H,11-12,14-15,18H2,1-2H3,(H,33,37)

InChIKey:

HQECXZKIRDUGLC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1c(c2cc(ccn2n1)OC)C(=O)NCc3ccc(cc3)N4CCC(CC4)c5ccc(cc5)OC(F)(F)F
CACTVS 3.385	COc1ccn2nc(C)c(C(=O)NCc3ccc(cc3)N4CCC(CC4)c5ccc(OC(F)(F)F)cc5)c2c1

Name:

5-methoxy-2-methyl-~{N}-[[4-[4-[4-(trifluoromethyloxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide

ChEMBL:

CHEMBL3612958

ZINC:

ZINC000473135352

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).