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BioLiP

PDB CCD ID: CRX
Number of entries in BioLiP: 0
Chemical formula: C8 H13 N3 O4
InChI: InChI=1S/C8H13N3O4/c1-4-7(14)11(3-6(12)13)8(15,10-4)5(2)9/h5,10,15H,1,3,9H2,2H3,(H,12,13)/t5-,8+/m0/s1
InChIKey: KGHMLYAJQPCDLM-YLWLKBPMSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(O)CN1C(=O)/C(NC1(O)C(N)C)=C
CACTVS 3.341C[C@H](N)[C@@]1(O)NC(=C)C(=O)N1CC(O)=O
OpenEye OEToolkits 1.5.0C[C@@H]([C@]1(NC(=C)C(=O)N1CC(=O)O)O)N
CACTVS 3.341C[CH](N)[C]1(O)NC(=C)C(=O)N1CC(O)=O
OpenEye OEToolkits 1.5.0CC(C1(NC(=C)C(=O)N1CC(=O)O)O)N
Name:[2-(1-AMINOETHYL)-2-HYDROXY-4-METHYLENE-5-OXOIMIDAZOLIDIN-1-YL]ACETIC ACID;
CHROMOPHORE (ALA-SER-GLY)
ZINC: ZINC000103537280
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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