Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02237440
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 |
PPN | PARA-NITROPHENYLALANINE | I | 1YTJ | 0.71 | |
NPC | 4-HYDROXY-3-NITROPHENYLACETYL-EPSILON- AMINOCAPROIC ACID ANION | H,I,J | 1A6V | 0.89 | |
ST1 | 4-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACID | A,B | 1IVD | 0.72 | |
ST1 | 4-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACID | A | 1IVB | 0.72 | |
U04 | ({3-[1-(4-HYDROXY-2-OXO-2H-CHROMEN- 3-YL)-PROPYL]-PHENYLCARBAMOYL}- METHYL)-CARBAMIC ACID TERT-BUTYL ESTER | A | 4UPJ | 0.72 | |
012 | (4S)-N-[(1S,2R)-1-benzyl-3-{[3- (dimethylamino)benzyl]amino}-2- hydroxypropyl]-1-(3-methoxybenzyl)- 2-oxoimidazolidine-4-carboxamide | A,B,C | 3CKP | 0.71 | |
629 | [2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]- (1,3,4,5-TETRAHYDROXY-4-HYDROXYMETHYL- PIPERIDIN-2-YL)- ACETIC ACID | A | 1JIJ | 0.7 | |
NIP | 4-HYDROXY-5-IODO-3-NITROPHENYLACETYL- EPSILON-AMINOCAPROIC ACID ANION | H | 1A6W | 0.86 | |
IYG | N-ALPHA-ACETYL-3,5-DIIODOTYROSYLGLYCINE | A | 1OPM | 0.73 | |
NPA | 2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID | H | 1NGP | 0.77 | |
CTA | CYCLOTHEONAMIDE A | A | 1TYN | 0.71 | |
4BQ | (2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid | A | 3CHQ | 0.7 | |
099 | (2R)-N~4~-hydroxy-2-(3-hydroxybenzyl)- N~1~-[(1S,2R)-2-hydroxy-2,3-dihydro- 1H-inden-1-yl]butanediamide | A,B | 3HYG | 0.73 | |
AZY | 3-AZIDO-L-TYROSINE | A | 2YXN | 0.8 | |
CCY | 2-(1-AMINO-2-MERCAPTO-ETHYL)-5- (4-HYDROXY-BENZYL)-3-(ETHANOYL)- 3,5-DIHYDRO-IMIDAZOL-4-ONE | A | 1EMK | 0.71 | |
LVS | 4-IODO-3-NITROPHENYL ACETYL-LEUCINYL- LEUCINYL-LEUCINYL-VINYLSULFONE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R, S,T,U,V,W,X | 1KYI | 0.86 | |
LVS | 4-IODO-3-NITROPHENYL ACETYL-LEUCINYL- LEUCINYL-LEUCINYL-VINYLSULFONE | A,B,C,G,H,I, L,M,N | 1OFI | 0.86 | |
098 | (3R)-N~2~-(cyclopropylmethyl)-N~1~- hydroxy-3-(3-hydroxybenzyl)-N~4~- [(1S,2R)-2-hydroxy-2,3-dihydro- 1H-inden-1-yl]-L-aspartamide | A,B | 3HY9 | 0.74 | |
2TY | 2-HYDROXY-5-{[(1E)-2-PHENYLETHYLIDENE]AMINO}- L-TYROSINE | A,B | 2CWV | 0.75 | |
ARY | ARYLOMYCIN A2 | A,B | 1T7D | 0.72 | |
TYQ | 3-AMINO-6-HYDROXY-TYROSINE | A,B | 1D6Y | 0.74 | |
TYQ | 3-AMINO-6-HYDROXY-TYROSINE | A,B | 1D6U | 0.74 | |
VS3 | 3-[N-[BENZYLOXYCARBONYL]-PHENYLALANINYL- AMINO]-5-PHENYL-PENTANE-1-SULFONIC ACID 4- NITRO-PHENYL ESTER | A | 1F2B | 0.75 | |
PI7 | N-[3-(8-SEC-BUTYL-7,10-DIOXO-2- OXA-6,9-DIAZA-BICYCLO[11.2.2] HEPTADECA- 1(16),13(17),14-TRIEN-11-YAMINO)- 2-HYDROXY-1-(4-HYDROXY-BENZYL) - PROPYL]-3-METHYL-2-PROPIONYLAMINO- BUTYRAMIDE | A,B | 1B6P | 0.73 | |
1C5 | [[O-PHOSPHONO-N-ACETYL-TYROSINYL]- GLUTAMYL-3[CYCLOHEXYLMETHYL]ALANINYL]- AMINE | A | 1BKM | 0.71 | |
YTT | (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine- 2,5-dione | A | 3G5H | 0.8 | |
0E4 | N-acetyl-L-tyrosyl-L-valyl-L-alanyl- L-aspartic acid | B,D | 3GJS | 0.75 | |
CLM | CHLORAMPHENICOL | A | 1K01 | 0.72 | |
CLM | CHLORAMPHENICOL | 1,2,4,A,B,C, D,E,J,K,L,M, N,O,P,R,S,T, U,V,Z | 1NJI | 0.72 | |
CLM | CHLORAMPHENICOL | A,B,C,D,E,F | 2JKL | 0.72 | |
CLM | CHLORAMPHENICOL | A | 2XAT | 0.72 | |
CLM | CHLORAMPHENICOL | A | 4CLA | 0.72 | |
CLM | CHLORAMPHENICOL | A | 1CLA | 0.72 | |
CLM | CHLORAMPHENICOL | A,B,C,D,E,F | 1USQ | 0.72 | |
CLM | CHLORAMPHENICOL | A,B,C,D,E,F | 2JKJ | 0.72 | |
CLM | CHLORAMPHENICOL | A,B | 2UXP | 0.72 | |
CLM | CHLORAMPHENICOL | A | 1QHS | 0.72 | |
CLM | CHLORAMPHENICOL | A | 1QHY | 0.72 | |
CLM | CHLORAMPHENICOL | A | 3CLA | 0.72 | |
PDE | PARA-NITROPHENYL PHOSPHONOBUTANOYL D- ALANINE | L | 1KN4 | 0.74 | |
BAN | HONH-BENZYLMALONYL-L-ALANYLGLYCINE- P-NITROANILIDE | A | 5TLN | 0.74 | |
BRX | BROMAMPHENICOL | A,B,C,D,E,F | 2JKL | 0.73 | |
CZP | (8R)-8-(CYCLOPENTYLMETHYL)-2-HYDROPEROXY- 2-(4-HYDROXYBENZYL)-6-(4-HYDROXYPHENYL)- 7,8-DIHYDROIMIDAZO[1,2-A]PYRAZIN- 3(2H)-ONE | A,B | 1UHH | 0.71 | |
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 | |
PI9 | A,B | 1D4L | 0.73 | ||
TYP | CYCLO-(L-TYROSINE-L-PROLINE) INHIBITOR | A,B | 1W1Y | 0.74 | |
OI1 | 3-(4-HYDROXYBENZYL)-2-[1-({[2-(4- HYDROXYPHENYL)ETHYL]AMINO}CARBONYL)BUTYL]- 4-OXO-3,6,11,11A-TETRAHYDRO-4H- PYRAZINO[1,2-B]ISOQUINOLIN-2-IUM- 1-OLATE | A,B | 1Q9D | 0.71 | |
HA2 | 6-[{(2S)-2-AMINO-3-[4-(BENZYLOXY)PHENYL]PROPYL}(HYDROXY)AMINO]- 6-OXOHEXANOIC ACID) | A | 2VJ8 | 0.72 | |
NIY | META-NITRO-TYROSINE | A | 2ADP | 0.86 | |
NIY | META-NITRO-TYROSINE | A | 3DIV | 0.86 | |
NIY | META-NITRO-TYROSINE | A | 2H5U | 0.86 | |
NIY | META-NITRO-TYROSINE | A | 1K4Q | 0.86 | |
NIY | META-NITRO-TYROSINE | B,G,O,Y | 1SDA | 0.86 | |
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 | 0.73 | |
PGG | PARA-NITROPHENYLPHOSPHONOBUTANOYL- GLYCINE | L | 1YEI | 0.73 | |
ZYA | BENZOYL-TYROSINE-ALANINE-METHYL KETONE | A | 1AIM | 0.76 | |
C78 | [1-[1-(6-CARBAMOYL-CYCLOHEX-2-ENYLCARBAMOYL)- CYCLOHEXYLCARBAMOYL]-2-(4-PHOSPHONOOXY- PHENYL)- ETHYL]-CARBAMIC ACID 3- AMINOBENZYLESTER | A,B,C,D,E,F, G,H,I,J,K,L | 1CJ1 | 0.75 | |
CLC | N-ACETYL-P-NITROPHENYLSERINOL | A | 1GRR | 0.75 | |
PNF | 6-{4-[HYDROXY-(4-NITRO-PHENOXY)- PHOSPHORYL]-BUTYRYLAMINO}-HEXANOIC ACID | L | 1YEJ | 0.74 | |
DNT | 2-[1-METHYLHEXYL]-4,6-DINITROPHENOL | A,B,C | 1NEN | 0.72 | |
GN8 | (Z)-3-BENZYL-5-(2-HYDROXY-3-NITROBENZYLIDENE)- 2-THIOXOTHIAZOLIDIN-4-ONE | A,B,C,D,E,F | 2P6F | 0.77 | |
UA1 | N-(TERT-BUTOXYCARBONYL)-L-TYROSYL- N-METHYL-4-(SULFOAMINO)-L-PHENYLALANINAMIDE | A | 2I4H | 0.82 | |
UA1 | N-(TERT-BUTOXYCARBONYL)-L-TYROSYL- N-METHYL-4-(SULFOAMINO)-L-PHENYLALANINAMIDE | A | 2I4G | 0.82 | |
C1N | N-[(BENZYLOXY)CARBONYL]LEUCYL-N~1~- [3-FLUORO-1-(4-HYDROXYBENZYL)-2- OXOPROPYL]LEUCINAMIDE | A | 1ZCM | 0.74 | |
4BO | (3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acid | A | 3CHP | 0.7 | |
GAH | N-{[(2S)-1-(N-{[4-({[AMINO(IMINO)METHYL]AMINO}METHYL)CYCLOHEXYL]CARBONYL}- 3-CYCLOHEXYL-L-ALANYL)AZETIDIN- 2-YL]CARBONYL}-L-TYROSYL-N~6~-[AMINO(IMINO)METHYL]- L-LYSINAMIDE | A,H | 1XM1 | 0.73 | |
843 | N-ACETYL-N-[1-(1,1'-BIPHENYL-4- YLMETHYL)-2-OXOAZEPAN-3-YL]-O-PHOSPHONOTYROSINAMIDE | A | 1O42 | 0.72 | |
SD2 | N-(SULFANYLACETYL)TYROSYLPROLYLMETHIONINAMIDE | A,B | 1PWQ | 0.73 | |
GNB | S-P-NITROBENZYLOXYCARBONYLGLUTATHIONE | A,B,C,D | 1QIP | 0.71 | |
PNC | PARA-NITROBENZYL GLUTARYL GLYCINIC ACID | L | 1YEF | 0.71 | |
IYT | N-ALPHA-ACETYL-3,5-DIIODOTYROSYL- D-THREONINE | A | 1SDW | 0.71 | |
ANY | 2-METHYL-BUTYRIC ACID 3-(3-FORMYLAMINO- 2-HYDROXY-BENZOYLAMINO)-8-HEPTYL- 2,6-DIMETHYL-4,9-DIOXO-[1,5]DIOXONAN- 7-YL ESTER | A,C,D,E,N,P, Q,R | 3H1I | 0.7 | |
ANY | 2-METHYL-BUTYRIC ACID 3-(3-FORMYLAMINO- 2-HYDROXY-BENZOYLAMINO)-8-HEPTYL- 2,6-DIMETHYL-4,9-DIOXO-[1,5]DIOXONAN- 7-YL ESTER | A,B,C,D,E,F, G,O,P,Q,R,S,T | 1PPJ | 0.7 | |
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 | 0.77 | |
TYC | L-TYROSINAMIDE | A | 2BF9 | 0.72 | |
TYC | L-TYROSINAMIDE | A | 2OCI | 0.72 | |
TY2 | 3-AMINO-L-TYROSINE | A,B | 2VH3 | 0.8 | |
BIA | 1-(3,4,DIHYDROXY-5-NITROPHENYL)- 3-{4-[3-(TRIFLUOROMETHYL) PHENYL] PIPERAZIN- 1-YL}PROPAN-1-ONE | A | 1H1D | 0.74 | |
HTA | N-[3-(N'-HYDROXYCARBOXAMIDO)-2- (2-METHYLPROPYL)-PROPANOYL]-O-TYROSINE- N-METHYLAMIDE | A | 1FBL | 0.73 | |
TVN | N-{(2R)-4-(methylamino)-4-oxo-2- [4-(phosphonooxy)benzyl]butanoyl}- L-valyl-L-aspartamide | A | 3C7I | 0.7 | |
AMY | ANTIMYCIN | C,D,E | 3BCC | 0.7 | |
L05 | 1-BENZYL-3-(4-METHOXYPHENYLAMINO)- 4-PHENYLPYRROLE-2,5-DIONE | A,B,C,D,E,F, G,H | 2ACL | 0.7 | |
UN7 | 3-[3-(3(S)-METHYLCARBAMOYL-7-SULFOAMINO- 3,4,-DIHYDRO-1H-ISOQUINOLIN-2-YL)- 3-OXO-PROPYL]-BENZOIC ACID | A | 2F71 | 0.71 | |
TI2 | (2-SULFANYL-3-PHENYLPROPANOYL)- PHE-TYR | A | 1QF0 | 0.76 | |
PNE | PARA-NITROPHENYL PHOSPHONOBUTANOYL L- ALANINE | L | 1KN2 | 0.74 | |
P28 | 3',5'-DINITRO-N-ACETYL-L-THYRONINE | A,B | 2ROY | 0.82 | |
GTB | S-(P-NITROBENZYL)GLUTATHIONE | A,B | 2OAD | 0.7 | |
GTB | S-(P-NITROBENZYL)GLUTATHIONE | A,B,C,D,E,F | 1GTI | 0.7 | |
GTB | S-(P-NITROBENZYL)GLUTATHIONE | A,B | 2OAC | 0.7 | |
GTB | S-(P-NITROBENZYL)GLUTATHIONE | A,B | 1GLQ | 0.7 | |
GTB | S-(P-NITROBENZYL)GLUTATHIONE | B,D | 2QMC | 0.7 | |
GTB | S-(P-NITROBENZYL)GLUTATHIONE | A,B | 2VO4 | 0.7 | |
GTB | S-(P-NITROBENZYL)GLUTATHIONE | A,B,C,D | 1K0C | 0.7 | |
PI5 | N-[3-(8-SEC-BUTYL-7,10-DIOXO-2- OXA-6,9-DIAZA-BICYCLO[11.2.2]HEPTADECA- 1(16),13(17),14- TRIEN-11-YLAMINO)- 2-HYDROXY-1-(4-HYDROXY-BENZYL)- PROPYL]-3-METHYL-2- (2-OXO-PYRROLIDIN- 1-YL)-BUTYRAMIDE | A,B | 1B6K | 0.7 | |
ANJ | (2R,3S,6S,7R,8R)-3-{[3-(FORMYLAMINO)- 2-HYDROXYBENZOYL]AMINO}-8-HEXYL- 2,6-DIMETHYL-4,9-DIOXO-1,5-DIOXONAN- 7-YL (2S)-2-METHYLBUTANOATE | A,B,C,D,E,F, G,H,I,J,K,L | 2QJP | 0.7 | |
ANJ | (2R,3S,6S,7R,8R)-3-{[3-(FORMYLAMINO)- 2-HYDROXYBENZOYL]AMINO}-8-HEXYL- 2,6-DIMETHYL-4,9-DIOXO-1,5-DIOXONAN- 7-YL (2S)-2-METHYLBUTANOATE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R | 2QJK | 0.7 | |
CJO | [(2R,4R)-2-[(1R,2R)-1-amino-2-hydroxypropyl]- 4-(4-hydroxybenzyl)-5-oxoimidazolidin- 1-yl]acetic acid | A | 2QT2 | 0.71 | |
CSY | [4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY- 1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN- 1-YL]-ACETIC ACID | A,B | 2AH8 | 0.72 | |
CSY | [4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY- 1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN- 1-YL]-ACETIC ACID | A,B,C,D | 1HCJ | 0.72 | |
CSY | [4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY- 1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN- 1-YL]-ACETIC ACID | A,B,C,D | 1W7S | 0.72 | |
CSY | [4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY- 1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN- 1-YL]-ACETIC ACID | A,B,C,D | 1W7T | 0.72 | |
CSY | [4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY- 1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN- 1-YL]-ACETIC ACID | A,B | 2AHA | 0.72 | |
CSY | [4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY- 1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN- 1-YL]-ACETIC ACID | A | 1EME | 0.72 | |
CSY | [4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY- 1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN- 1-YL]-ACETIC ACID | A,B | 1KP5 | 0.72 | |
CSY | [4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY- 1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN- 1-YL]-ACETIC ACID | A | 1EMM | 0.72 | |
CSY | [4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY- 1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN- 1-YL]-ACETIC ACID | A | 1EML | 0.72 | |
CSY | [4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY- 1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN- 1-YL]-ACETIC ACID | A,B,C,D | 1W7U | 0.72 | |
CSY | [4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY- 1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN- 1-YL]-ACETIC ACID | A,B,C,D | 1EMC | 0.72 | |
CSY | [4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY- 1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN- 1-YL]-ACETIC ACID | A | 2HPW | 0.72 | |
NCR | 2-NITRO-P-CRESOL | A,B | 1AHV | 0.73 | |
NLT | N-DODECANOYL-L-TYROSINE | A,B,C,D,E,F, G,H | 2G0B | 0.75 | |
CZO | [(2R,4S)-2-[(1S,2R)-1-amino-2-hydroxypropyl]- 2-hydroxy-4-(4-hydroxybenzyl)-5- oxoimidazolidin-1-yl]acetic acid | A | 2QRF | 0.7 |