Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02513756
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
---|---|---|---|---|---|
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
CL8 | CHLORAMPHENICOL SUCCINATE | A,B,C,D,E,F | 2JKN | 0.74 | |
GNB | S-P-NITROBENZYLOXYCARBONYLGLUTATHIONE | A,B,C,D | 1QIP | 0.72 | |
PPN | PARA-NITROPHENYLALANINE | I | 1YTJ | 0.76 | |
C47 | METHYL (3R)-1-[(5S,6S,8R)-5-AMINO- 9-BUTYLAMINO-6-HYDROXY-3,3,8-TRIMETHYL- 9-OXO-NONANOYL]-3,4-DIHYDRO-2H- QUINOLINE-3-CARBOXYLATE | C,O | 2V16 | 0.71 | |
NPG | N-SUCCINYL PHENYLGLYCINE | A,B,C,D | 1SJD | 0.71 | |
PNB | 4-NITRO-BENZYLPHOSPHONOBUTANOYL- GLYCINE | A,L | 1YED | 0.74 | |
PNB | 4-NITRO-BENZYLPHOSPHONOBUTANOYL- GLYCINE | H,L | 1YEC | 0.74 | |
PNB | 4-NITRO-BENZYLPHOSPHONOBUTANOYL- GLYCINE | H | 1YEE | 0.74 | |
UNH | ({1-[1-CARBAMOYL-PHENYL-METHYL)- CARBAMOYL]-METHYL}-AMINOOXALYL)- BUTYLCARBAMOYL)-3-METHYL-BUTYLCARBAMOYL)- CYCLOHEXYL-METHYL)-CARBAMIC ACID ISOBUTYL ESTER | A,C | 2A4G | 0.72 | |
PSI | 2-(2-{5-[2-(2-AMINO-PROPIONYLAMINO)- PROPIONYLAMINO]-4-HYDROXY-6-PHENYL- HEXANOYLAMINO}-3-METHYL-BUTYRYLAMINO)- 3-METHYL-BUTYRIC ACID METHYL ESTER | B | 1SIV | 0.73 | |
PSI | 2-(2-{5-[2-(2-AMINO-PROPIONYLAMINO)- PROPIONYLAMINO]-4-HYDROXY-6-PHENYL- HEXANOYLAMINO}-3-METHYL-BUTYRYLAMINO)- 3-METHYL-BUTYRIC ACID METHYL ESTER | B | 1AAQ | 0.73 | |
PNC | PARA-NITROBENZYL GLUTARYL GLYCINIC ACID | L | 1YEF | 0.78 | |
MLN | (S)-2-(PHOSPHONOXY)CAPROYL-L-LEUCYL- P-NITROANILIDE | A | 1BSK | 0.74 | |
MLN | (S)-2-(PHOSPHONOXY)CAPROYL-L-LEUCYL- P-NITROANILIDE | A | 1BSJ | 0.74 | |
1C2 | 3(S)-METHYLCARBAMOYL-7-SULFOAMINO- 3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT- BUTYL ESTER | A | 2F6T | 0.72 | |
D7G | ((1S)-1-((((1S)-1-BENZYL-3-(CYCLOPROPYLAMINO)- 2,3-DIOXOPROPYL)AMINO)CARBONYL)- 3-METHYLBUTYL)CARBAMIC ACID 5-METHOXY- 3-OXAPENTYL ESTER | A | 2G8J | 0.71 | |
PRQ | (3S)-3-amino-3-(2-nitrophenyl)propanoic acid | C,F,I,L | 2VE6 | 0.72 | |
HPI | N-(1-CARBOXY-3-PHENYLPROPYL)PHENYLALANYL- ALPHA-ASPARAGINE | A | 1U4G | 0.74 | |
U11 | METHYL N-{(2S,3R)-3-AMINO-2-HYDROXY- 3-[4-(TRIFLUOROMETHYL)PHENYL]PROPANOYL}ALANYLGLYCINATE | A | 2GG0 | 0.71 | |
S17 | methyl 4-bromo-N-[8-(hydroxyamino)- 8-oxooctanoyl]-L-phenylalaninate | A,B,C,D | 2VCG | 0.71 | |
MMI | N-[(4S,5S,7R)-8-({(S)-1-[(BENZYLAMINO)OXOMETHYL]- 2-METHYLPROPYL}AMINO)-5-HYDROXY- 2,7-DIMETHYL-8-OXO-OCT-4-YL]-(4S,7S)- 4-ISOPROPYL-2,5,9-TRIOXO-1-OXA- 3,6,10-TRIAZACYCLOHEXADECANE-7- CARBOXAMIDE | D | 1XS7 | 0.76 | |
UA1 | N-(TERT-BUTOXYCARBONYL)-L-TYROSYL- N-METHYL-4-(SULFOAMINO)-L-PHENYLALANINAMIDE | A | 2I4H | 0.72 | |
UA1 | N-(TERT-BUTOXYCARBONYL)-L-TYROSYL- N-METHYL-4-(SULFOAMINO)-L-PHENYLALANINAMIDE | A | 2I4G | 0.72 | |
BAN | HONH-BENZYLMALONYL-L-ALANYLGLYCINE- P-NITROANILIDE | A | 5TLN | 0.74 | |
HU2 | (2S)-({N-[(3S)-3-({N-[(2S,4E)-2- ISOPROPYL-7-METHYLOCT-4-ENOYL]- L-LEUCYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETIC ACID | A,C | 2OC1 | 0.72 | |
GTB | S-(P-NITROBENZYL)GLUTATHIONE | A,B | 2OAD | 0.76 | |
GTB | S-(P-NITROBENZYL)GLUTATHIONE | A,B,C,D,E,F | 1GTI | 0.76 | |
GTB | S-(P-NITROBENZYL)GLUTATHIONE | A,B | 2OAC | 0.76 | |
GTB | S-(P-NITROBENZYL)GLUTATHIONE | A,B | 1GLQ | 0.76 | |
GTB | S-(P-NITROBENZYL)GLUTATHIONE | B,D | 2QMC | 0.76 | |
GTB | S-(P-NITROBENZYL)GLUTATHIONE | A,B | 2VO4 | 0.76 | |
GTB | S-(P-NITROBENZYL)GLUTATHIONE | A,B,C,D | 1K0C | 0.76 | |
3UN | (4-{4-[(TERT-BUTOXYCARBONYL)AMINO]- 2,2-BIS(ETHOXYCARBONYL)BUTYL}PHENYL)SULFAMIC ACID | A | 2H03 | 0.77 | |
U16 | METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY- 3-(4-ISOPROPYLPHENYL)PROPANOYL]- D-ALANYL-D-LEUCINATE | A | 2GG9 | 0.73 | |
BIQ | BENZYL [12-(2-AMINO-2-OXOETHYL)- 4-NITRO-10,13-DIOXO-15-[(PROPYLAMINO)CARBONYL]- 2-OXA-11,14-DIAZATRICYCLO[15 .2.2.1~3,7~]DOCOSA- 1(19),3(22),4,6,17,20-HEXAEN-9- YL]CARBAMATE | H,V | 2GPL | 0.74 | |
INH | N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2- PHENYLETHYL)GLYCYL-L-ARGININE-N- PHENYLAMIDE | A | 1SLN | 0.7 | |
INH | N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2- PHENYLETHYL)GLYCYL-L-ARGININE-N- PHENYLAMIDE | A | 2SRT | 0.7 | |
INH | N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2- PHENYLETHYL)GLYCYL-L-ARGININE-N- PHENYLAMIDE | A | 3BG8 | 0.7 | |
002 | N-[(2R)-2-BENZYL-4-(HYDROXYAMINO)- 4-OXOBUTANOYL]-L-ISOLEUCYL-L-LEUCINE | A,B | 2FV9 | 0.73 | |
MOQ | MOTUPORIN | A | 2BCD | 0.71 | |
NBY | N-{[(4-nitrophenyl)carbonyl]carbamoyl}- beta-D-glucopyranosylamine | A | 2QN8 | 0.7 | |
VS3 | 3-[N-[BENZYLOXYCARBONYL]-PHENYLALANINYL- AMINO]-5-PHENYL-PENTANE-1-SULFONIC ACID 4- NITRO-PHENYL ESTER | A | 1F2B | 0.71 | |
BNH | [(N-{3-[(N-{CYCLOHEXYL[(ISOBUTOXYCARBONYL)AMINO]ACETYL}- 3-CYCLOPROPYLALANYL)AMINO]-4-CYCLOPROPYL- 2-OXOBUTANOYL}GLYCYL)AMINO](PHENYL)ACETIC ACID | A,C | 2A4R | 0.72 | |
PME | N-L-ALPHA-ASPARTYL L-PHENYLALANINE 1- METHYL ESTER | H,L | 1A8J | 0.78 | |
RA4 | N-(4-NITROBENZOYL)-L-LEUCYL-N-(4- {[AMINO(IMINO)METHYL]AMINO}BUTYL)- L-PROLINAMIDE | H,I | 1YPM | 0.7 | |
ENB | ETHYL (2E,4S)-4-[((2R)-2-{[N-(TERT- BUTOXYCARBONYL)-L-VALYL]AMINO}- 2-PHENYLETHANOYL)AMINO]-5-[(3S)- 2-OXOPYRROLIDIN-3-YL]PENT-2-ENOATE | A,B | 2D2D | 0.71 | |
U15 | METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY- 3-(4-METHYLPHENYL)PROPANOYL]-D- ALANYL-D-LEUCINATE | A | 2GG8 | 0.72 | |
CLC | N-ACETYL-P-NITROPHENYLSERINOL | A | 1GRR | 0.72 | |
K7J | N-(3-carboxypropanoyl)-L-alanyl- L-alanyl-N-[(1S,2R)-1-benzyl-2- hydroxypropyl]-L-prolinamide | A | 2QXI | 0.71 | |
K7J | N-(3-carboxypropanoyl)-L-alanyl- L-alanyl-N-[(1S,2R)-1-benzyl-2- hydroxypropyl]-L-prolinamide | A | 2QXH | 0.71 | |
K7J | N-(3-carboxypropanoyl)-L-alanyl- L-alanyl-N-[(1S,2R)-1-benzyl-2- hydroxypropyl]-L-prolinamide | A | 2QXJ | 0.71 | |
W22 | [(2S)-4-methyl-3-oxo-2,3,4,5-tetrahydro- 1H-1,4-benzodiazepin-2-yl]acetic acid | A,B | 2WKW | 0.72 | |
DOF | (S)-2-(4-NITROBENZYL)-1,4,7,10- TETRAAZACYCLODODECANE-N,N',N'',N'''- TETRAACETATE | A,B,C,D | 1NC4 | 0.75 | |
ZYZ | (4-{(2S)-2-[(tert-butoxycarbonyl)amino]- 3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid | A | 3D9C | 0.74 | |
ENT | 3(R)-METHYLCARBAMOYL-7-SULFOAMINO- 3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT- BUTYL ESTER | A | 2F6Y | 0.72 |