BioLiP

PDB

BioLiP

PDB CCD ID:

4V9

Number of entries in BioLiP:

Chemical formula:

C17 H15 F N4

InChI:

InChI=1S/C17H15FN4/c18-13-6-4-12(5-7-13)17-14-11-22(10-8-15(14)20-21-17)16-3-1-2-9-19-16/h1-7,9H,8,10-11H2,(H,20,21)

InChIKey:

ZJRNBCJAMQCQNC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	c1ccnc(c1)N2CCc3c(c([nH]n3)c4ccc(cc4)F)C2
CACTVS 3.385	Fc1ccc(cc1)c2[nH]nc3CCN(Cc23)c4ccccn4
ACDLabs 12.01	c1(ccccn1)N4Cc3c(c2ccc(F)cc2)nnc3CC4

Name:

3-(4-fluorophenyl)-5-(pyridin-2-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine

ChEMBL:

CHEMBL3604843

ZINC:

ZINC000263621344

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).