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BioLiP

PDB CCD ID: NLF
Number of entries in BioLiP: 0
Chemical formula: C12 H12 N2 O3
InChI: InChI=1S/C12H12N2O3/c15-7-14-11(12(16)17)5-8-6-13-10-4-2-1-3-9(8)10/h1-4,6-7,11,13H,5H2,(H,14,15)(H,16,17)/t11-/m0/s1
InChIKey: RNEMLJPSSOJRHX-NSHDSACASA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)[CH](Cc1c[nH]c2ccccc12)NC=O
OpenEye OEToolkits 2.0.7c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)NC=O
CACTVS 3.385OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC=O
OpenEye OEToolkits 2.0.7c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)NC=O
ACDLabs 12.01O=C(O)C(NC=O)Cc1c[NH]c2ccccc21
Name:N-formyl-L-tryptophan
ZINC: ZINC000005280394
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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