BioLiP

PDB

BioLiP

PDB CCD ID:

A1H93

Number of entries in BioLiP:

Chemical formula:

C19 H16 F2 N6 O2

InChI:

InChI=1S/C19H16F2N6O2/c1-29-16-5-12(20)15(4-13(16)21)27-8-14(24-25-27)19(28)18-17(10-2-3-10)23-7-11-6-22-9-26(11)18/h4-10,19,28H,2-3H2,1H3/t19-/m0/s1

InChIKey:

FQZYKWGHIWGNGJ-IBGZPJMESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COc1cc(c(cc1F)n2cc(nn2)[C@@H](c3c(ncc4n3cnc4)C5CC5)O)F
CACTVS 3.385	COc1cc(F)c(cc1F)n2cc(nn2)[CH](O)c3n4cncc4cnc3C5CC5
OpenEye OEToolkits 2.0.7	COc1cc(c(cc1F)n2cc(nn2)C(c3c(ncc4n3cnc4)C5CC5)O)F
CACTVS 3.385	COc1cc(F)c(cc1F)n2cc(nn2)[C@H](O)c3n4cncc4cnc3C5CC5

Name:

(R)-[1-[2,5-bis(fluoranyl)-4-methoxy-phenyl]-1,2,3-triazol-4-yl]-(6-cyclopropylimidazo[1,5-a]pyrazin-5-yl)methanol

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).