Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02864711
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 |
ZFB![]() | (3R)-3-{[(BENZYLOXY)CARBONYL]AMINO}- 2-OXO-4-PHENYLBUTANE-1-DIAZONIUM | A,B,C,D | 1PVJ | 0.77 | ![]() |
186![]() | [1-(1-METHYL-4,5-DIOXO-PENT-2-ENYLCARBAMOYL)- 2-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER | X | 1U9Q | 0.74 | ![]() |
INA![]() | 1,5-BIS(N-BENZYLOXYCARBONYL-L-LEUCINYL)CARBOHYDRAZIDE | A | 1AYU | 0.74 | ![]() |
ZYA![]() | BENZOYL-TYROSINE-ALANINE-METHYL KETONE | A | 1AIM | 0.7 | ![]() |
959![]() | benzyl (2-oxopropyl)carbamate | A | 3D62 | 0.81 | ![]() |
SB3![]() | 1,3-DIPHENYL-1-PROPYL-1-(3,3-DIMETHYL- 1,2-DIOXYPENTYL)-2-PIPERIDINE CARBOXYLATE | A | 1FKG | 0.73 | ![]() |
MYE![]() | N2-({[(4-BROMOPHENYL)METHYL]OXY}CARBONYL)- N1-[(1S)-1-FORMYLPENTYL]-L-LEUCINAMIDE | A | 1SNK | 0.74 | ![]() |
PNM![]() | OPEN FORM - PENICILLIN G | A | 1GHP | 0.7 | ![]() |
PNM![]() | OPEN FORM - PENICILLIN G | A | 1PWC | 0.7 | ![]() |
PNM![]() | OPEN FORM - PENICILLIN G | A | 1IYQ | 0.7 | ![]() |
PNM![]() | OPEN FORM - PENICILLIN G | A | 1FQG | 0.7 | ![]() |
PNM![]() | OPEN FORM - PENICILLIN G | A,B,C,D | 2J8Y | 0.7 | ![]() |
PNM![]() | OPEN FORM - PENICILLIN G | A,B,C,D | 2JBF | 0.7 | ![]() |
PNM![]() | OPEN FORM - PENICILLIN G | A | 2EX8 | 0.7 | ![]() |
0E3![]() | N-acetyl-L-valyl-O-benzyl-L-threonyl- N-[(1R)-2-oxo-1-{[(3S)-2-oxopyrrolidin- 3-yl]methyl}propyl]-L-leucinamide | A | 2Z3C | 0.72 | ![]() |
GPR![]() | (9R,10R)-9-(S-GLUTATHIONYL)-10- HYDROXY-9,10-DIHYDROPHENANTHRENE | A,B | 1MTC | 0.71 | ![]() |
GPR![]() | (9R,10R)-9-(S-GLUTATHIONYL)-10- HYDROXY-9,10-DIHYDROPHENANTHRENE | A,B | 5FWG | 0.71 | ![]() |
GPR![]() | (9R,10R)-9-(S-GLUTATHIONYL)-10- HYDROXY-9,10-DIHYDROPHENANTHRENE | A,B | 2PGT | 0.71 | ![]() |
GPR![]() | (9R,10R)-9-(S-GLUTATHIONYL)-10- HYDROXY-9,10-DIHYDROPHENANTHRENE | A,B | 3FYG | 0.71 | ![]() |
GPR![]() | (9R,10R)-9-(S-GLUTATHIONYL)-10- HYDROXY-9,10-DIHYDROPHENANTHRENE | A,B | 3GST | 0.71 | ![]() |
SEM![]() | 3-AMINO-4-OXYBENZYL-2-BUTANONE | A,B | 1THE | 0.76 | ![]() |
SDK![]() | 1,3-BIS[[N-[(PHENYLMETHOXY)CARBONYL]- L-LEUCYL]AMINO]-2-PROPANONE | A | 1AU0 | 0.77 | ![]() |
AGF![]() | O-(((1R)-((N-(PHENYL-METHOXY-CARBONYL)- ALANYL)-AMINO)METHYL)HYDROXYPHOSPHINYL)3- L-PHENYLLACTATE | A | 8CPA | 0.72 | ![]() |
CT1![]() | (1R)-2-METHYL-1-(PHENYLMETHYL)PROPYL[(1S)- 1-FORMYLPENTYL]CARBAMATE | A | 2AUX | 0.74 | ![]() |
FOS![]() | [[N-(BENZYLOXYCARBONYL)AMINO]METHYL]PHOSPHATE | A | 1BLH | 0.72 | ![]() |
FOS![]() | [[N-(BENZYLOXYCARBONYL)AMINO]METHYL]PHOSPHATE | A | 1AXB | 0.72 | ![]() |
TB1![]() | (3S)-3-(BENZYLOXY)-L-ASPARTIC ACID | A,B,C | 2NWW | 0.7 | ![]() |
VS2![]() | 3-[N-[BENZYLOXYCARBONYL]-PHENYLALANINYL- AMINO]-5-PHENYL-PENTANE-1-SULFONYLMETHYLBENZENE | A | 1F2A | 0.75 | ![]() |
ZAF![]() | O-(((1R)-((N-PHENYLMETHOXYCARBONYL- L-ALANYL)AMINO)ETHYL)HYDROXYPHOSPHONO)- L-BENZYLACETIC ACID | A | 6CPA | 0.71 | ![]() |
1BH![]() | N-BENZYLOXYCARBONYL-ALA-PRO-3-AMINO- 4-PHENYL-BUTAN-2-OL | A | 1BH6 | 0.74 | ![]() |
ESY![]() | benzyl N-[(benzyloxy)carbonyl]- L-alanyl-N~6~-[(2R,3S,4S)-3-formyl- 2-hydroxy-4-methylhexanoyl]-L-lysinate | K,Y | 3E47 | 0.73 | ![]() |
SBA![]() | CARBOBENZYLOXY-(L)-LEUCINYL-(L)LEUCINYL METHOXYMETHYLKETONE | A | 1BQI | 0.76 | ![]() |
0E2![]() | N-acetyl-L-valyl-O-benzyl-L-threonyl- N-[(1R,2R)-2-hydroxy-1-{[(3R)-2- oxopyrrolidin-3-yl]methyl}propyl]- L-leucinamide | A | 2Z3C | 0.7 | ![]() |
NOL![]() | N-[(BENZYLOXY)CARBONYL]-O-(TERT- BUTYL)-L-THREONYL-3-CYCLOHEXYL- N-[(1S)-2-HYDROXY-1-{[(3S)-2-OXOPYRROLIDIN- 3-YL]METHYL}ETHYL]-L-ALANINAMIDE | A | 2GX4 | 0.71 | ![]() |
MP2![]() | N-[(BENZYLOXY)CARBONYL]-L-CYSTEINYLGLYCINE | A,B | 2FU9 | 0.88 | ![]() |
BO9![]() | N1-[(1R)-1-(DIHYDROXYBORYL)ETHYL]- N2-[(TERT-BUTOXYCARBONYL)-D-GAMMA- GLUTAMYL]-N6-[(BENZYLOXY)CARBONYL- L-LYSINAMIDE | A | 1Z6F | 0.76 | ![]() |
F3G![]() | 3-[2-(2-BENZYLOXYCARBONYLAMINO- 3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]- 4-OXO-PENTANOIC ACID | A | 2HBY | 0.78 | ![]() |
F3G![]() | 3-[2-(2-BENZYLOXYCARBONYLAMINO- 3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]- 4-OXO-PENTANOIC ACID | A | 2H4Y | 0.78 | ![]() |
F3G![]() | 3-[2-(2-BENZYLOXYCARBONYLAMINO- 3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]- 4-OXO-PENTANOIC ACID | A | 2HBR | 0.78 | ![]() |
F3G![]() | 3-[2-(2-BENZYLOXYCARBONYLAMINO- 3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]- 4-OXO-PENTANOIC ACID | A | 2H4W | 0.78 | ![]() |
F3G![]() | 3-[2-(2-BENZYLOXYCARBONYLAMINO- 3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]- 4-OXO-PENTANOIC ACID | A | 2H48 | 0.78 | ![]() |
F3G![]() | 3-[2-(2-BENZYLOXYCARBONYLAMINO- 3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]- 4-OXO-PENTANOIC ACID | A | 2H54 | 0.78 | ![]() |
F3G![]() | 3-[2-(2-BENZYLOXYCARBONYLAMINO- 3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]- 4-OXO-PENTANOIC ACID | A | 2H51 | 0.78 | ![]() |
F3G![]() | 3-[2-(2-BENZYLOXYCARBONYLAMINO- 3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]- 4-OXO-PENTANOIC ACID | A | 2HBZ | 0.78 | ![]() |
F3G![]() | 3-[2-(2-BENZYLOXYCARBONYLAMINO- 3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]- 4-OXO-PENTANOIC ACID | A | 2HBQ | 0.78 | ![]() |
ZRA![]() | BENZOYL-ARGININE-ALANINE-METHYL KETONE | A | 2AIM | 0.78 | ![]() |
0PN![]() | N-[(benzyloxy)carbonyl]-L-valyl- L-alanyl-N~5~-[amino(iminio)methyl]- L-ornithyl-L-serine | A | 3G8F | 0.73 | ![]() |
ABY![]() | N-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZYL)- L-CYSTEINYLGLYCINE | A,B | 1PL2 | 0.79 | ![]() |
ABY![]() | N-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZYL)- L-CYSTEINYLGLYCINE | A,B | 1PL1 | 0.79 | ![]() |
PG1![]() | PENICILLIN G ACYL-SERINE | A,B | 1XA7 | 0.73 | ![]() |
PG1![]() | PENICILLIN G ACYL-SERINE | A | 2IWC | 0.73 | ![]() |
PG1![]() | PENICILLIN G ACYL-SERINE | A,B | 1MWT | 0.73 | ![]() |
MX4![]() | {1-[4-(BENZYLOXY)-4-OXOBUTANOYL]HYDRAZINO}ACETIC ACID | I | 2C2M | 0.75 | ![]() |
MO9![]() | (1R)-2-[(CYANOMETHYL)AMINO]-1-({[2- (DIFLUOROMETHOXY)BENZYL]SULFONYL}METHYL)- 2-OXOETHYL MORPHOLINE-4-CARBOXYLATE | A,B | 2G7Y | 0.71 | ![]() |
73V![]() | BENZYL N-({(2S,3S)-3-[(PROPYLAMINO)CARBONYL]OXIRAN- 2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE | A | 2DC6 | 0.73 | ![]() |
PCM![]() | 1-[N[(PHENYLMETHOXY)CARBONYL]-L- LEUCYL-4-[[N/N-[(PHENYLMETHOXY)CARBONYL]- /NL-LEUCYL]AMINO]-3-PYRROLIDINONE/N | A | 1AU3 | 0.74 | ![]() |
T10![]() | [1-(1-BENZYL-3-HYDROXY-2-OXO-PROPYLCARBAMOYL)- 2-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER | A | 1ME4 | 0.7 | ![]() |
KI2![]() | 3-BENZYLOXYCARBONYLAMINO-2-HYDROXY- 4-PHENYL-BUTYRIC ACID | A,B,I,J | 1NH0 | 0.74 | ![]() |
KI2![]() | 3-BENZYLOXYCARBONYLAMINO-2-HYDROXY- 4-PHENYL-BUTYRIC ACID | I | 1U8G | 0.74 | ![]() |
ZPR![]() | N-BENZYLOXYCARBONYL-L-PROLYL-L- PROLINAL | A | 1QFS | 0.71 | ![]() |
ZPR![]() | N-BENZYLOXYCARBONYL-L-PROLYL-L- PROLINAL | A | 1H2Y | 0.71 | ![]() |
FBD![]() | N-({(1R)-1-carboxy-2-[(4-fluorobenzyl)sulfanyl]ethyl}carbamoyl)- L-glutamic acid | A | 3D7D | 0.71 | ![]() |
ZU3![]() | N-[(benzyloxy)carbonyl]-3-[(2,2- dimethylpropanoyl)amino]-L-alanyl- N-[(1R)-4-oxo-1-{[(3S)-2-oxopyrrolidin- 3-yl]methyl}pentyl]-L-leucinamide | A | 2ZU4 | 0.73 | ![]() |
ZU3![]() | N-[(benzyloxy)carbonyl]-3-[(2,2- dimethylpropanoyl)amino]-L-alanyl- N-[(1R)-4-oxo-1-{[(3S)-2-oxopyrrolidin- 3-yl]methyl}pentyl]-L-leucinamide | A | 2ZU3 | 0.73 | ![]() |
INT![]() | [[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]- VALINYL-[PHENYL-1-HYDROXYPROP-2- YL]-AMINE | A | 3TLH | 0.78 | ![]() |
INT![]() | [[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]- VALINYL-[PHENYL-1-HYDROXYPROP-2- YL]-AMINE | A | 1B11 | 0.78 | ![]() |
INT![]() | [[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]- VALINYL-[PHENYL-1-HYDROXYPROP-2- YL]-AMINE | A | 6FIV | 0.78 | ![]() |
INT![]() | [[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]- VALINYL-[PHENYL-1-HYDROXYPROP-2- YL]-AMINE | A | 5FIV | 0.78 | ![]() |
INT![]() | [[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]- VALINYL-[PHENYL-1-HYDROXYPROP-2- YL]-AMINE | A | 2HAH | 0.78 | ![]() |
K2Z![]() | benzyl [(1S)-1-{[(1S,2S)-1-ethyl- 2-hydroxy-3-{[3-(4-methylpiperazin- 1-yl)propyl]amino}-3-oxopropyl]carbamoyl}- 3-methylbutyl]carbamate | A | 2R9F | 0.74 | ![]() |
ALZ![]() | H,I | 1AFE | 0.72 | ![]() | |
BBL![]() | N-[(BENZYLOXY)CARBONYL]-L-ALANINE | A,I | 2H9H | 0.87 | ![]() |
BBL![]() | N-[(BENZYLOXY)CARBONYL]-L-ALANINE | A,I | 2HAL | 0.87 | ![]() |
BBL![]() | N-[(BENZYLOXY)CARBONYL]-L-ALANINE | A | 2A4O | 0.87 | ![]() |
BBL![]() | N-[(BENZYLOXY)CARBONYL]-L-ALANINE | A,I | 2H6M | 0.87 | ![]() |
BBL![]() | N-[(BENZYLOXY)CARBONYL]-L-ALANINE | A | 2CXV | 0.87 | ![]() |
GSB![]() | S-BENZYL-GLUTATHIONE | A,B,C,D | 1FRO | 0.72 | ![]() |
GSB![]() | S-BENZYL-GLUTATHIONE | A,B,C,D | 1GUH | 0.72 | ![]() |
BLN![]() | MORPHOLINE-4-CARBOXYLIC ACID [1S- (2-BENZYLOXY-1R-CYANO-ETHYLCARBAMOYL)- 3-METHYL-BUTYL]AMIDE | A | 1MS6 | 0.75 | ![]() |
739![]() | 2(S)-{2(S)-[2(R)-AMINO-3-MERCAPTO]PROPYLAMINO- 3(S)-METHYL}PENTYLOXY-3-PHENYLPROPIONYLMETHIONINE SULFONE | A,B | 1JCQ | 0.74 | ![]() |
CMQ![]() | N~2~-[(BENZYLOXY)CARBONYL]-N-[(1S,2S)- 2-HYDROXY-1-(4-HYDROXYBENZYL)PROPYL]- L-LEUCINAMIDE | A,B,C,D,E,F, G,H,I,J,K,L, M,N | 2FZS | 0.71 | ![]() |
SUB![]() | 3-PHENYL-2-{[4-(TOLUENE-4-SULFONYL)- THIOMORPHOLINE-3-CARBONYL]-AMINO}- PROPIONIC ACID ETHYL ESTER | A | 1J4H | 0.71 | ![]() |
WR1![]() | NALPHA-[(BENZYLOXY)CARBONYL]-N- [(1R)-4-HYDROXY-1-METHYL-2-OXOBUTYL]- L-PHENYLALANINAMIDE | A,B | 2OP9 | 0.73 | ![]() |
IBG![]() | GAMMA-GLUTAMYL[S-(2-IODOBENZYL)CYSTEINYL]GLYCINE | A | 1M9B | 0.7 | ![]() |
ZAH![]() | N-[(BENZYLOXY)CARBONYL]-L-ALANYL- L-PROLINE | A,B | 2BKL | 0.79 | ![]() |
MTJ![]() | N,O-DIMETHYL-L-TYROSINE | A,B | 1ATL | 0.71 | ![]() |
ZYZ![]() | (4-{(2S)-2-[(tert-butoxycarbonyl)amino]- 3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid | A | 3D9C | 0.75 | ![]() |
Y15![]() | N-[(1S)-2-{[(1R)-2-(benzyloxy)- 1-cyano-1-methylethyl]amino}-1- (cyclohexylmethyl)-2-oxoethyl]morpholine- 4-carboxamide | A,B | 2R9O | 0.71 | ![]() |
GPS![]() | (9S,10S)-9-(S-GLUTATHIONYL)-10- HYDROXY-9,10-DIHYDROPHENANTHRENE | A,B | 2GST | 0.71 | ![]() |
GPS![]() | (9S,10S)-9-(S-GLUTATHIONYL)-10- HYDROXY-9,10-DIHYDROPHENANTHRENE | A,B | 6GSW | 0.71 | ![]() |
GPS![]() | (9S,10S)-9-(S-GLUTATHIONYL)-10- HYDROXY-9,10-DIHYDROPHENANTHRENE | A,B | 6GSV | 0.71 | ![]() |
GPS![]() | (9S,10S)-9-(S-GLUTATHIONYL)-10- HYDROXY-9,10-DIHYDROPHENANTHRENE | A | 1B4P | 0.71 | ![]() |
GPS![]() | (9S,10S)-9-(S-GLUTATHIONYL)-10- HYDROXY-9,10-DIHYDROPHENANTHRENE | A,B | 6GSX | 0.71 | ![]() |
GPS![]() | (9S,10S)-9-(S-GLUTATHIONYL)-10- HYDROXY-9,10-DIHYDROPHENANTHRENE | A,B | 6GSU | 0.71 | ![]() |
CT2![]() | 1-(PHENYLMETHYL)CYCLOPENTYL[(1S)- 1-FORMYLPENTYL]CARBAMATE | A | 2AUZ | 0.74 | ![]() |
GBI![]() | S-(3-IODOBENZYL)GLUTATHIONE | A | 2GSQ | 0.7 | ![]() |
NBL![]() | N2-[(BENZYLOXY)CARBONYL]-N1-[(3S)- 1-CYANOPYRROLIDIN-3-YL]-L-LEUCINAMIDE | A | 1YK7 | 0.76 | ![]() |
ZU5![]() | N-[(benzyloxy)carbonyl]-O-tert- butyl-L-threonyl-N-[(1R)-4-cyclopropyl- 4-oxo-1-{[(3S)-2-oxopyrrolidin- 3-yl]methyl}butyl]-L-leucinamide | A | 2ZU5 | 0.73 | ![]() |
GSO![]() | L-GAMMA-GLUTAMYL-S-[(2S)-2-HYDROXY- 2-PHENYLETHYL]-L-CYSTEINYLGLYCINE | A,B,C,D | 2C4J | 0.76 | ![]() |
ALD![]() | CARBOBENZYLOXYLEUCINYL-LEUCINYL- LEUCINAL | A | 1BP4 | 0.8 | ![]() |
TR1![]() | 2-(2-{2-[(BIPHENYL-4-YLMETHYL)- AMINO]-3-MERCAPTO-PENTANOYLAMINO}- ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER | A,B | 1C8T | 0.7 | ![]() |
TR1![]() | 2-(2-{2-[(BIPHENYL-4-YLMETHYL)- AMINO]-3-MERCAPTO-PENTANOYLAMINO}- ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER | A,B | 1C3I | 0.7 | ![]() |