BioLiP

PDB

BioLiP

PDB CCD ID:

6KP

Number of entries in BioLiP:

Chemical formula:

C16 H11 F N6

InChI:

InChI=1S/C16H11FN6/c1-8-13(5-11-16(21-8)19-7-18-11)23-12-3-2-9(17)4-10(12)15-14(23)6-20-22-15/h2-7H,1H3,(H,20,22)(H,18,19,21)

InChIKey:

BGVWCIRYUNODHW-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.4	Cc1c(cc2c(n1)[nH]cn2)n3c4ccc(cc4c5c3c[nH]n5)F
ACDLabs 12.01	n1c(C)c(cc2c1ncn2)n4c3c(nnc3)c5cc(F)ccc45
CACTVS 3.385	Cc1nc2[nH]cnc2cc1n3c4c[nH]nc4c5cc(F)ccc35

Name:

7-fluoro-4-(5-methyl-3H-imidazo[4,5-b]pyridin-6-yl)-2,4-dihydropyrazolo[4,3-b]indole

ChEMBL:

CHEMBL3797399

ZINC:

ZINC000210488947

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).