BioLiP

PDB

BioLiP

PDB CCD ID:

F92

Number of entries in BioLiP:

Chemical formula:

C19 H20 F N5 O

InChI:

InChI=1S/C19H20FN5O/c20-13-3-1-12(2-4-13)17-18(16-9-10-22-19(21)24-16)25(11-23-17)14-5-7-15(26)8-6-14/h1-4,9-11,14-15,26H,5-8H2,(H2,21,22,24)/t14-,15-

InChIKey:

YNEJNUAUXPCFAS-SHTZXODSSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Nc1nccc(n1)c2n(cnc2c3ccc(F)cc3)[CH]4CC[CH](O)CC4
CACTVS 3.385	Nc1nccc(n1)c2n(cnc2c3ccc(F)cc3)[C@H]4CC[C@H](O)CC4
OpenEye OEToolkits 2.0.6	c1cc(ccc1c2c(n(cn2)C3CCC(CC3)O)c4ccnc(n4)N)F

Name:

4-[5-(2-azanylpyrimidin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]cyclohexan-1-ol

ChEMBL:

CHEMBL319988

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).