BioLiP

PDB

BioLiP

PDB CCD ID:

5YH

Number of entries in BioLiP:

Chemical formula:

C18 H17 F2 N3 O2

InChI:

InChI=1S/C18H17F2N3O2/c19-11-1-3-16-14(7-11)15-8-12(20)2-4-17(15)23(16)10-13(24)9-22-6-5-21-18(22)25/h1-4,7-8,13,24H,5-6,9-10H2,(H,21,25)/t13-/m0/s1

InChIKey:

MUVYYQQLOKRDQS-ZDUSSCGKSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O[CH](CN1CCNC1=O)Cn2c3ccc(F)cc3c4cc(F)ccc24
CACTVS 3.385	O[C@@H](CN1CCNC1=O)Cn2c3ccc(F)cc3c4cc(F)ccc24
OpenEye OEToolkits 2.0.7	c1cc2c(cc1F)c3cc(ccc3n2C[C@H](CN4CCNC4=O)O)F
OpenEye OEToolkits 2.0.7	c1cc2c(cc1F)c3cc(ccc3n2CC(CN4CCNC4=O)O)F

Name:

1-[(2R)-3-[3,6-bis(fluoranyl)carbazol-9-yl]-2-oxidanyl-propyl]imidazolidin-2-one

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).