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BioLiP

PDB CCD ID: 1TQ
Number of entries in BioLiP: 0
Chemical formula: C12 H13 N3 O4
InChI: InChI=1S/C12H13N3O4/c13-8(12(18)19)3-6-4-14-10-7(6)1-2-9(11(10)17)15-5-16/h1-2,4-5,8,14,17H,3,13H2,(H,15,16)(H,18,19)/t8-/m0/s1
InChIKey: KQHVKFIVZSZCEC-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(c(c2c1c(c[nH]2)CC(C(=O)O)N)O)NC=O
CACTVS 3.341N[C@@H](Cc1c[nH]c2c(O)c(NC=O)ccc12)C(O)=O
OpenEye OEToolkits 1.5.0c1cc(c(c2c1c(c[nH]2)C[C@@H](C(=O)O)N)O)NC=O
ACDLabs 10.04O=C(O)C(N)Cc2c1ccc(c(O)c1nc2)NC=O
CACTVS 3.341N[CH](Cc1c[nH]c2c(O)c(NC=O)ccc12)C(O)=O
Name:6-(FORMYLAMINO)-7-HYDROXY-L-TRYPTOPHAN
ZINC: ZINC000058632078
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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