BioLiP

PDB

BioLiP

PDB CCD ID:

CSH

Number of entries in BioLiP:

Chemical formula:

C11 H17 N5 O4

InChI:

InChI=1S/C11H17N5O4/c12-7(4-17)10-15-8(1-6-2-13-5-14-6)11(20)16(10)3-9(18)19/h2,5,7-8,10,15,17H,1,3-4,12H2,(H,13,14)(H,18,19)/t7-,8-,10-/m0/s1

InChIKey:

QHHYSJJZGWVBMV-NRPADANISA-N

SMILES:

Software	SMILES
CACTVS 3.341	N[C@@H](CO)[C@H]1N[C@@H](Cc2c[nH]cn2)C(=O)N1CC(O)=O
ACDLabs 10.04	O=C1N(CC(=O)O)C(NC1Cc2ncnc2)C(N)CO
OpenEye OEToolkits 1.5.0	c1c(nc[nH]1)CC2C(=O)N(C(N2)C(CO)N)CC(=O)O
CACTVS 3.341	N[CH](CO)[CH]1N[CH](Cc2c[nH]cn2)C(=O)N1CC(O)=O
OpenEye OEToolkits 1.5.0	c1c(nc[nH]1)CC2C(=O)N(C(N2)[C@H](CO)N)CC(=O)O

Name:

[2-(2-HYDROXY-1-METHYL-ETHYL)-4-(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-IMIDAZOLIDIN-1-YL]-ACETIC ACID

ZINC:

ZINC000058633443

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).