BioLiP

PDB

BioLiP

PDB CCD ID:

DTB

Number of entries in BioLiP:

Chemical formula:

C10 H18 N2 O3

InChI:

InChI=1S/C10H18N2O3/c1-7-8(12-10(15)11-7)5-3-2-4-6-9(13)14/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15)/t7-,8+/m0/s1

InChIKey:

AUTOLBMXDDTRRT-JGVFFNPUSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CC1C(NC(=O)N1)CCCCCC(=O)O
OpenEye OEToolkits 1.7.6	C[C@H]1[C@H](NC(=O)N1)CCCCCC(=O)O
CACTVS 3.385	C[C@@H]1NC(=O)N[C@@H]1CCCCCC(O)=O
ACDLabs 12.01	C1(=O)NC(C(N1)C)CCCCCC(=O)O
CACTVS 3.385	C[CH]1NC(=O)N[CH]1CCCCCC(O)=O

Name:

6-(5-METHYL-2-OXO-IMIDAZOLIDIN-4-YL)-HEXANOIC ACID;
D-DESTHIOBIOTIN

ChEMBL:

CHEMBL1232381

DrugBank:

DB03775

ZINC:

ZINC000094437777

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).