BioLiP

PDB

BioLiP

PDB CCD ID:

D8A

Number of entries in BioLiP:

Chemical formula:

C11 H21 N O2

InChI:

InChI=1S/C11H21NO2/c12-10-8(6-9(13)11(10)14)7-4-2-1-3-5-7/h7-11,13-14H,1-6,12H2/t8-,9-,10-,11-/m1/s1

InChIKey:

CZPCDIVNIKVJDW-GWOFURMSSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C1CCC(CC1)[C@H]2C[C@H]([C@H]([C@@H]2N)O)O
CACTVS 3.385	N[C@H]1[C@H](O)[C@H](O)C[C@@H]1C2CCCCC2
CACTVS 3.385	N[CH]1[CH](O)[CH](O)C[CH]1C2CCCCC2
OpenEye OEToolkits 2.0.6	C1CCC(CC1)C2CC(C(C2N)O)O
ACDLabs 12.01	C2C(C1C(C(C(C1)O)O)N)CCCC2

Name:

(1R,2S,3R,4R)-3-amino-4-cyclohexylcyclopentane-1,2-diol

ZINC:

ZINC000078931344

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).