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BioLiP

PDB CCD ID: DV7
Number of entries in BioLiP: 0
Chemical formula: C13 H13 N O5
InChI: InChI=1S/C13H13NO5/c14-10(13(17)18)4-1-7-5-12(16)19-11-6-8(15)2-3-9(7)11/h2-3,5-6,10,15H,1,4,14H2,(H,17,18)/t10-/m0/s1
InChIKey: QEQAKQQRJFWPOR-JTQLQIEISA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc2c(cc1O)OC(=O)C=C2CCC(C(=O)O)N
CACTVS 3.385N[CH](CCC1=CC(=O)Oc2cc(O)ccc12)C(O)=O
OpenEye OEToolkits 2.0.6c1cc2c(cc1O)OC(=O)C=C2CC[C@@H](C(=O)O)N
ACDLabs 12.01C(C(CCC=2c1ccc(O)cc1OC(C=2)=O)N)(=O)O
CACTVS 3.385N[C@@H](CCC1=CC(=O)Oc2cc(O)ccc12)C(O)=O
Name:L-(7-hydroxycoumarin-4-yl)ethylglycine;
(2S)-2-amino-4-(7-hydroxy-2-oxo-2H-1-benzopyran-4-yl)butanoic acid
ZINC: ZINC000095642936
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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