Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetTrypsin
LigandBDBM17090
Substrate/CompetitorBDBM17139
Meas. Tech.Enzyme Inhibition Assay
Ki>10000±n/a nM
Citation Ye, BArnaiz, DOChou, YLGriedel, BDKaranjawala, RLee, WMorrissey, MMSacchi, KLSakata, STShaw, KJWu, SCZhao, ZAdler, MCheeseman, SDole, WPEwing, JFitch, RLentz, DLiang, ALight, DMorser, JPost, JRumennik, GSubramanyam, BSullivan, MEVergona, RWalters, JWang, YXWhite, KAWhitlow, MKochanny, MJ Thiophene-anthranilamides as highly potent and orally available factor xa inhibitors J Med Chem50:2967-80 (2007) [PubMed]  Article
More Info.:Get all data from this article,   Solution Info,  Assay Method
 
Trypsin
Name:Trypsin I
Synonyms:Beta-Trypsin | Cationic trypsin | Trypsin I
Type:Enzyme
Mol. Mass.:25790.52
Organism:Bos taurus (bovine)
Description:P00760
Residue:246
Sequence:
MKTFIFLALLGAAVAFPVDDDDKIVGGYTCGANTVPYQVSLNSGYHFCGGSLINSQWVVS
AAHCYKSGIQVRLGEDNINVVEGNEQFISASKSIVHPSYNSNTLNNDIMLIKLKSAASLN
SRVASISLPTSCASAGTQCLISGWGNTKSSGTSYPDVLKCLKAPILSDSSCKSAYPGQIT
SNMFCAGYLEGGKDSCQGDSGGPVVCSGKLQGIVSWGSGCAQKNKPGVYTKVCNYVSWIK
QTIASN
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM17090
NameBDBM17090
Synonyms:3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carbamoyl]-6-methoxyphenyl}-4-[(methylamino)methyl]thiophene-2-carboxamide | Thiophene-Anthranilamide, 10b | ZK 814048 | ZK814048
TypeSmall organic molecule
Emp. Form.C20H17Cl3N4O3S
Mol. Mass.499.798
SMILESCNCc1csc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c1Cl
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
BDBM17139
NameBDBM17139
Synonyms:(2S)-2-[(2R)-2-amino-3-methylbutanamido]-N-[(1S)-4-carbamimidamido-1-[(4-nitrophenyl)carbamoyl]butyl]-4-methylpentanamide dihydrochloride | Chromogenic Substrate S-2266 | H-D-Val-Leu-Arg-pNA 2HCl | H-D-Val-Leu-Arg-pNA · 2HCl | H-D-Valyl-L-leucyl-L-argininep-Nitroaniline dihydrochloride
TypeSmall organic molecule
Emp. Form.C23H38N8O5
Mol. Mass.506.5984
SMILESCC(C)CC(NC(=O)C(N)C(C)C)C(=O)NC(CCC\[NH+]=C(/N)[NH-])C(=O)Nc1ccc(cc1)[N+]([O-])=O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: