BioLiP

PDB

BioLiP

PDB CCD ID:

G27

Number of entries in BioLiP:

Chemical formula:

C15 H23 N O3

InChI:

InChI=1S/C15H23NO3/c17-11-13-9-16(10-14(18)15(13)19)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,13-15,17-19H,4,7-11H2/t13-,14-,15-/m1/s1

InChIKey:

NKARZGURZMIRMA-RBSFLKMASA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1ccc(cc1)CCC[N@@]2C[C@@H]([C@H]([C@@H](C2)O)O)CO
ACDLabs 10.04	OCC2CN(CCCc1ccccc1)CC(O)C2O
CACTVS 3.341	OC[C@H]1CN(CCCc2ccccc2)C[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0	c1ccc(cc1)CCCN2CC(C(C(C2)O)O)CO
CACTVS 3.341	OC[CH]1CN(CCCc2ccccc2)C[CH](O)[CH]1O

Name:

(3R,4R,5R)-5-(HYDROXYMETHYL)-1-(3-PHENYLPROPYL)PIPERIDINE-3,4-DIOL

ChEMBL:

CHEMBL213661

DrugBank:

DB07807

ZINC:

ZINC000024805808

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).