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BioLiP Library

PDB CCD ID: CSH
Number of entries in BioLiP: 0
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:
SoftwareSMILES
CACTVS 3.341N[C@@H](CO)[C@H]1N[C@@H](Cc2c[nH]cn2)C(=O)N1CC(O)=O
ACDLabs 10.04O=C1N(CC(=O)O)C(NC1Cc2ncnc2)C(N)CO
OpenEye OEToolkits 1.5.0c1c(nc[nH]1)CC2C(=O)N(C(N2)C(CO)N)CC(=O)O
CACTVS 3.341N[CH](CO)[CH]1N[CH](Cc2c[nH]cn2)C(=O)N1CC(O)=O
OpenEye OEToolkits 1.5.0c1c(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, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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