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BioLiP Library

PDB CCD ID: DJD
Number of entries in BioLiP: 0
Chemical formula: C12 H13 N5 O2
InChI: InChI=1S/C12H13N5O2/c1-7-14-16-11(17-15-7)9-4-2-8(3-5-9)6-10(13)12(18)19/h2-5,10H,6,13H2,1H3,(H,18,19)/t10-/m0/s1
InChIKey: MLVVYSKCLSLPPD-JTQLQIEISA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1nnc(nn1)c2ccc(C[C@H](N)C(O)=O)cc2
OpenEye OEToolkits 2.0.6Cc1nnc(nn1)c2ccc(cc2)C[C@@H](C(=O)O)N
OpenEye OEToolkits 2.0.6Cc1nnc(nn1)c2ccc(cc2)CC(C(=O)O)N
ACDLabs 12.01NC(Cc1ccc(cc1)c2nnc(C)nn2)C(O)=O
CACTVS 3.385Cc1nnc(nn1)c2ccc(C[CH](N)C(O)=O)cc2
Name:4-(6-methyl-1,2,4,5-tetrazin-3-yl)-L-phenylalanine
ZINC: ZINC000219783392
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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