BioLiP

PDB

BioLiP

PDB CCD ID:

1QJ

Number of entries in BioLiP:

Chemical formula:

C15 H12 F N3 O

InChI:

InChI=1S/C15H12FN3O/c16-12-3-1-10(2-4-12)15-14(8-18-19-15)11-5-6-17-13(7-11)9-20/h1-8,20H,9H2,(H,18,19)

InChIKey:

RKBVIYAYFDBXIL-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	OCc1cc(ccn1)c2c[nH]nc2c3ccc(F)cc3
OpenEye OEToolkits 1.7.6	c1cc(ccc1c2c(c[nH]n2)c3ccnc(c3)CO)F
ACDLabs 12.01	Fc3ccc(c1nncc1c2ccnc(c2)CO)cc3

Name:

{4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridin-2-yl}methanol

ZINC:

ZINC000095920746

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).