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BioLiP

PDB CCD ID: GIC
Number of entries in BioLiP: 0
Chemical formula: C14 H17 N3 O3
InChI: InChI=1S/C14H17N3O3/c15-5-6-17(9-14(19)20)13(18)7-10-8-16-12-4-2-1-3-11(10)12/h1-4,8,16H,5-7,9,15H2,(H,19,20)
InChIKey: AOYQSBAHDKERJH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1ccc2c(c1)c(c[nH]2)CC(=O)N(CCN)CC(=O)O
ACDLabs 12.01O=C(O)CN(C(=O)Cc2c1ccccc1nc2)CCN
CACTVS 3.370NCCN(CC(O)=O)C(=O)Cc1c[nH]c2ccccc12
Name:N-(2-aminoethyl)-N-(1H-indol-3-ylacetyl)glycine
ZINC: ZINC000058631611
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).
  • 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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