BioLiP

PDB

BioLiP

PDB CCD ID:

XUH

Number of entries in BioLiP:

Chemical formula:

C20 H24 N2 O

InChI:

InChI=1S/C20H24N2O/c23-16(13-21-15-7-1-2-8-15)14-22-19-11-5-3-9-17(19)18-10-4-6-12-20(18)22/h3-6,9-12,15-16,21,23H,1-2,7-8,13-14H2/t16-/m1/s1

InChIKey:

UIWHEXAVANZGHK-MRXNPFEDSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O[C@H](CNC1CCCC1)Cn2c3ccccc3c4ccccc24
ACDLabs 12.01	OC(CNC1CCCC1)Cn1c2ccccc2c2ccccc21
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)c3ccccc3n2C[C@@H](CNC4CCCC4)O
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)c3ccccc3n2CC(CNC4CCCC4)O
CACTVS 3.385	O[CH](CNC1CCCC1)Cn2c3ccccc3c4ccccc24

Name:

(2R)-1-(9H-carbazol-9-yl)-3-(cyclopentylamino)propan-2-ol

ZINC:

ZINC000004189340

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).