Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02685927
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 |
NPC | 4-HYDROXY-3-NITROPHENYLACETYL-EPSILON- AMINOCAPROIC ACID ANION | H,I,J | 1A6V | 0.73 | |
BRX | BROMAMPHENICOL | A,B,C,D,E,F | 2JKL | 0.72 | |
CRI | A,B | 1VKG | 0.75 | ||
TTT | 5-amino-2-methyl-N-[(1R)-1-naphthalen- 1-ylethyl]benzamide | A | 3E9S | 0.76 | |
EBW | 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}- 3-OXOPENTYL)-N,N-DIMETHYL-N-PROP- 2-ENYLBENZENAMINIUM | A | 1E3Q | 0.73 | |
MLN | (S)-2-(PHOSPHONOXY)CAPROYL-L-LEUCYL- P-NITROANILIDE | A | 1BSK | 0.73 | |
MLN | (S)-2-(PHOSPHONOXY)CAPROYL-L-LEUCYL- P-NITROANILIDE | A | 1BSJ | 0.73 | |
RA4 | N-(4-NITROBENZOYL)-L-LEUCYL-N-(4- {[AMINO(IMINO)METHYL]AMINO}BUTYL)- L-PROLINAMIDE | H,I | 1YPM | 0.79 | |
SP8 | N-{(1S)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNS | 0.77 | |
PSS | ETHYLAMINOBENZYLMETHYLCARBONYL GROUP | A | 1EAG | 0.7 | |
529 | (2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL- 3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN- 1-YL)PHENYL]PROPANAMIDE | A,C,D | 2BPM | 0.7 | |
PPN | PARA-NITROPHENYLALANINE | I | 1YTJ | 0.79 | |
GEP | N-METHYL-N-(PARA-GLUTARAMIDOPHENYL- ETHYL)-PIPERIDINIUM ION | L | 25C8 | 0.72 | |
NIP | 4-HYDROXY-5-IODO-3-NITROPHENYLACETYL- EPSILON-AMINOCAPROIC ACID ANION | H | 1A6W | 0.72 | |
PNZ | P-NITRO-BENZYLAMINE | A,D,H | 2HJ4 | 0.78 | |
PNZ | P-NITRO-BENZYLAMINE | A,B | 2C70 | 0.78 | |
DI5 | AC-(D)PHE-PRO-BOROHOMOORNITHINE- OH | H | 1LHG | 0.72 | |
HIN | (2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL- CHLOROETHYLKETONE | B | 2GMT | 0.71 | |
PRQ | (3S)-3-amino-3-(2-nitrophenyl)propanoic acid | C,F,I,L | 2VE6 | 0.75 | |
AHC | 4-AMINOHYDROCINNAMIC ACID | A,B | 2AY1 | 0.7 | |
CF3 | 9,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDE | A,B,C,D | 2GH6 | 0.72 | |
PNC | PARA-NITROBENZYL GLUTARYL GLYCINIC ACID | L | 1YEF | 0.84 | |
BNI | 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL- 6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)- AMIDE | A,B | 1RXH | 0.72 | |
BNI | 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL- 6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)- AMIDE | A,B | 1I9H | 0.72 | |
BNI | 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL- 6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)- AMIDE | A,B | 2FHL | 0.72 | |
BNI | 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL- 6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)- AMIDE | A,B | 1RXK | 0.72 | |
BNI | 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL- 6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)- AMIDE | A,B | 2OFB | 0.72 | |
BNI | 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL- 6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)- AMIDE | A,B | 1IJ8 | 0.72 | |
BNI | 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL- 6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)- AMIDE | A,B | 2OF8 | 0.72 | |
BNI | 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL- 6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)- AMIDE | A,B,C,D | 1RXJ | 0.72 | |
BNI | 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL- 6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)- AMIDE | X,Y | 2FHN | 0.72 | |
1C2 | 3(S)-METHYLCARBAMOYL-7-SULFOAMINO- 3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT- BUTYL ESTER | A | 2F6T | 0.72 | |
CLC | N-ACETYL-P-NITROPHENYLSERINOL | A | 1GRR | 0.76 | |
566 | (3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE- 3-CARBOXAMIDE | A | 2H7I | 0.71 | |
SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A | 1C3S | 0.78 | |
SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A,B,C | 3C0Z | 0.78 | |
SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A | 1T69 | 0.78 | |
SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A,B,C,D | 1ZZ1 | 0.78 | |
3AB | 3-aminobenzamide | A,B,C,D | 3GOY | 0.73 | |
FRP | N1-((2S,3S,5R)-3-AMINO-6-(4-FLUOROPHENYLAMINO)- 5-METHYL-6-OXO-1-PHENYLHEXAN-2- YL)-N3,N3-DIPROPYLISOPHTHALAMIDE | A,B,C | 2FDP | 0.71 | |
GW9 | 2-chloro-5-nitro-N-phenylbenzamide | A,D | 3E00 | 0.74 | |
NOX | N-(PARA-GLUTARAMIDOPHENYL-ETHYL)- PIPERIDINIUM-N-OXIDE | L | 35C8 | 0.73 | |
37U | D-phenylalanyl-N-(3-fluorobenzyl)- L-prolinamide | H,I | 2ZDV | 0.71 | |
NP1 | N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE | A | 1WUG | 0.78 | |
PNB | 4-NITRO-BENZYLPHOSPHONOBUTANOYL- GLYCINE | A,L | 1YED | 0.72 | |
PNB | 4-NITRO-BENZYLPHOSPHONOBUTANOYL- GLYCINE | H,L | 1YEC | 0.72 | |
PNB | 4-NITRO-BENZYLPHOSPHONOBUTANOYL- GLYCINE | H | 1YEE | 0.72 | |
FAF | 2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1- FORMYL-2-PHENYL-ETHYL)-AMIDE | B,C | 1GGD | 0.74 | |
53U | D-phenylalanyl-N-benzyl-L-prolinamide | H,I | 2ZFF | 0.73 | |
BHM | (R)-3-BROMO-2-HYDROXY-2-METHYL- N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | A | 2AX9 | 0.71 | |
SU2 | 3-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYLIDENYL]- 2-INDOLINONE | A,B | 1AGW | 0.72 | |
AU4 | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.7 | |
HFT | HYDROXYFLUTAMIDE | A | 2AX6 | 0.73 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | E,F,G,H | 1NJU | 0.7 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | Y,Z | 1JQ7 | 0.7 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | C | 1NKM | 0.7 | |
S2D | N-BENZOYL-D-ALANINE | A,B | 2JCI | 0.7 | |
NID | 4-NITRO-INDEN-1-ONE | A,B | 1DOH | 0.71 | |
FA4 | SM-25453 | A,B | 2D1O | 0.72 | |
FA4 | SM-25453 | A,B | 2D1N | 0.72 | |
IPO | PARA-IODO-D-PHENYLALANINE HYDROXAMIC ACID | A | 1IGB | 0.71 | |
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 | |
AAN | 2-(4-NITROPHENYL)ACETIC ACID | B | 1AJN | 0.73 | |
AAH | H | 1KEL | 0.73 | ||
AAH | B,H | 1FL6 | 0.73 | ||
PLH | METHYLAMINO-PHENYLALANYL-LEUCYL- HYDROXAMIC ACID | A | 1HFC | 0.76 | |
PLH | METHYLAMINO-PHENYLALANYL-LEUCYL- HYDROXAMIC ACID | A | 1MNC | 0.76 | |
SN8 | 1,6-DIMETHYL-4-(4-(4-(1-METHYLPYRIDINIUM- 4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM | A,B | 1ZPH | 0.72 | |
LPF | 1,1,1-TRIFLUORO-3-((N-ACETYL)-L- LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N- ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE) | G | 7GCH | 0.72 | |
GA0 | GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDE | A | 2DCM | 0.74 | |
B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A,B | 3F06 | 0.77 | |
B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A,B | 3EZP | 0.77 | |
B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A | 3EW8 | 0.77 | |
B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A,B | 3EZT | 0.77 | |
B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A | 1T67 | 0.77 | |
SX3 | 4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin- 1-yl]carbonyl}aniline | A,B | 3CJ2 | 0.7 | |
GTB | S-(P-NITROBENZYL)GLUTATHIONE | A,B | 2OAD | 0.73 | |
GTB | S-(P-NITROBENZYL)GLUTATHIONE | A,B,C,D,E,F | 1GTI | 0.73 | |
GTB | S-(P-NITROBENZYL)GLUTATHIONE | A,B | 2OAC | 0.73 | |
GTB | S-(P-NITROBENZYL)GLUTATHIONE | A,B | 1GLQ | 0.73 | |
GTB | S-(P-NITROBENZYL)GLUTATHIONE | B,D | 2QMC | 0.73 | |
GTB | S-(P-NITROBENZYL)GLUTATHIONE | A,B | 2VO4 | 0.73 | |
GTB | S-(P-NITROBENZYL)GLUTATHIONE | A,B,C,D | 1K0C | 0.73 | |
GK5 | N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)- 6-methylbiphenyl-3,4'-dicarboxamide | A | 3D7Z | 0.71 | |
GIN | 2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3- YL)METHYL]AMINO}-N-[4-PROPYL-3- (TRIFLUOROMETHYL)PHENYL]BENZAMIDE | A,B | 2HZ0 | 0.73 | |
NP2 | N-(3-AMINOPROPYL)-2-NITROBENZENAMINE | A | 1WUM | 0.71 | |
KEL | N-[(2R)-2-benzyl-4-(hydroxyamino)- 4-oxobutanoyl]-L-alanine | X | 3B7U | 0.72 | |
TSN | TRICHOSTATIN A | A,B | 1T64 | 0.77 | |
TSN | TRICHOSTATIN A | A,B | 1C3R | 0.77 | |
TSN | TRICHOSTATIN A | A,B,C | 3F0R | 0.77 | |
TSN | TRICHOSTATIN A | A,B,C | 3C10 | 0.77 | |
DOF | (S)-2-(4-NITROBENZYL)-1,4,7,10- TETRAAZACYCLODODECANE-N,N',N'',N'''- TETRAACETATE | A,B,C,D | 1NC4 | 0.74 | |
TTX | TENTOXIN | B | 1KMH | 0.72 | |
HNT | [(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN- 3-YL]METHANOL | A,B | 2G70 | 0.72 | |
U1N | 4-[(3R)-3-{[2-(4-FLUOROPHENYL)- 2-OXOETHYL]AMINO}BUTYL]BENZAMIDE | A,B | 2OGZ | 0.71 | |
UN6 | (3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]- METHYL}-PHENYL)-SULFAMIC ACID | A | 2F70 | 0.79 | |
TNS | A,B,L | 2G2R | 0.73 | ||
44U | beta-phenyl-D-phenylalanyl-N-propyl- L-prolinamide | B,D | 3DA9 | 0.7 | |
CLM | CHLORAMPHENICOL | A | 1K01 | 0.71 | |
CLM | CHLORAMPHENICOL | 1,2,4,A,B,C, D,E,J,K,L,M, N,O,P,R,S,T, U,V,Z | 1NJI | 0.71 | |
CLM | CHLORAMPHENICOL | A,B,C,D,E,F | 2JKL | 0.71 | |
CLM | CHLORAMPHENICOL | A | 2XAT | 0.71 | |
CLM | CHLORAMPHENICOL | A | 4CLA | 0.71 | |
CLM | CHLORAMPHENICOL | A | 1CLA | 0.71 | |
CLM | CHLORAMPHENICOL | A,B,C,D,E,F | 1USQ | 0.71 | |
CLM | CHLORAMPHENICOL | A,B,C,D,E,F | 2JKJ | 0.71 | |
CLM | CHLORAMPHENICOL | A,B | 2UXP | 0.71 | |
CLM | CHLORAMPHENICOL | A | 1QHS | 0.71 | |
CLM | CHLORAMPHENICOL | A | 1QHY | 0.71 | |
CLM | CHLORAMPHENICOL | A | 3CLA | 0.71 | |
DI4 | AC-(D)PHE-PRO-BOROHOMOLYS-OH | H | 1LHF | 0.71 | |
SP9 | N-{(1R)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNT | 0.77 | |
APF | 1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN- 2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE) | B,C | 1GG6 | 0.73 | |
APF | 1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN- 2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE) | G | 6GCH | 0.73 | |
51U | D-phenylalanyl-N-(3-methylbenzyl)- L-prolinamide | H,I | 2ZF0 | 0.72 | |
UN5 | {3(S)-METHYLCARBAMOYL-2-[3-(3-SULFOAMINO- PHENYL)-PROPIONYL]-1,2,3,4-TETRAHYDRO- ISOQUINOLIN-7-YL}-SULFAMIC ACID | A | 2F6Z | 0.73 | |
MC2 | N2-(L-PHENYLALANYL)-N1-(NAPHTHALENYL)- L-ARIGNINAMIDE | A | 1T9Y | 0.71 | |
MIN | METHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINE | H,I | 1TOM | 0.71 | |
LO1 | [[4-(AMINOMETHYL)PHENYL]AMINO]OXO- ACETIC ACID, | A | 1WAX | 0.72 | |
3NT | 3-NITROTOLUENE | A,B | 2BMR | 0.71 | |
3NT | 3-NITROTOLUENE | A,B | 2HMO | 0.71 | |
BAN | HONH-BENZYLMALONYL-L-ALANYLGLYCINE- P-NITROANILIDE | A | 5TLN | 0.83 | |
DI2 | AC-(D)PHE-PRO-BOROLYS-OH | H | 1LHD | 0.71 | |
ENT | 3(R)-METHYLCARBAMOYL-7-SULFOAMINO- 3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT- BUTYL ESTER | A | 2F6Y | 0.72 |