BioLiP

PDB

BioLiP

PDB CCD ID:

V8W

Number of entries in BioLiP:

Chemical formula:

C5 H12 N2 O

InChI:

InChI=1S/C5H12N2O/c6-5(8)4-2-1-3-7-4/h4-5,7-8H,1-3,6H2/t4-,5+/m0/s1

InChIKey:

ZLLTUYBXZZQUBK-CRCLSJGQSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[C@H](O)[C@@H]1CCCN1
OpenEye OEToolkits 1.9.2	C1CC(NC1)C(N)O
OpenEye OEToolkits 1.9.2	C1C[C@H](NC1)[C@H](N)O
CACTVS 3.385	N[CH](O)[CH]1CCCN1
ACDLabs 12.01	OC(N)C1NCCC1

Name:

(R)-azanyl-[(2S)-pyrrolidin-2-yl]methanol

ZINC:

ZINC000098209522

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).