Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02255592
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 |
OIN | (1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT- 3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE | A | 1TH6 | 0.72 | |
OIN | (1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT- 3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE | A | 2ARM | 0.72 | |
SDK | 1,3-BIS[[N-[(PHENYLMETHOXY)CARBONYL]- L-LEUCYL]AMINO]-2-PROPANONE | A | 1AU0 | 0.7 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZK0 | 0.71 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJZ | 0.71 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJY | 0.71 | |
SEM | 3-AMINO-4-OXYBENZYL-2-BUTANONE | A,B | 1THE | 0.76 | |
SFX | (3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan- 1-amine | A | 3GWW | 0.72 | |
ZPR | N-BENZYLOXYCARBONYL-L-PROLYL-L- PROLINAL | A | 1QFS | 0.72 | |
ZPR | N-BENZYLOXYCARBONYL-L-PROLYL-L- PROLINAL | A | 1H2Y | 0.72 | |
PHQ | FORMIC ACID BENZYL ESTER | A,I | 2F4O | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KJO | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CDR | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C1E | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 5PAD | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | E,F | 1JXQ | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 2CNO | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 1CGL | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2AZ9 | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C2K | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | A,I | 2CNL | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KJP | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C2M | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2AZB | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 9HVP | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1ESB | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | E,F | 1DY8 | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 1PPM | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 1GEC | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KS7 | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | C | 1A8G | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KKK | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | T,U,V,W,X,Y | 1QDU | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 4TMN | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 5TMN | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KTO | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | A,C | 1TG1 | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2AZ8 | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 2G58 | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | Q,R,S,T,U,V | 1F9E | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CJY | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | A,I | 1E8M | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KR6 | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 6TMN | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KRO | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CNN | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C2O | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 1SQZ | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 1THE | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | I,J | 2AZC | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 5EST | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CNK | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KL6 | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 6PAD | 0.77 | |
PHQ | FORMIC ACID BENZYL ESTER | B,I | 2C2Z | 0.77 | |
BCG | 3-(BENZOYLOXY)-8-METHYL-8-AZABICYCLO[3.2.1]OCTANE- 2-CARBOXYLIC ACID | H | 1QYG | 0.71 | |
HC6 | (2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2- hydroxy-4,4-dimethylmorpholin-4- ium) | A,B | 3F2R | 0.72 | |
HC6 | (2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2- hydroxy-4,4-dimethylmorpholin-4- ium) | A,B | 3G15 | 0.72 | |
ANM | ANISOMYCIN | 1,2,4,A,B,C, D,E,J,K,L,M, N,O,P,R,S,T, U,V,Z | 1K73 | 0.71 | |
ANM | ANISOMYCIN | 0,1,3,9,A,B, C,F,H,J,K,L, M,N,O,Q,R,S, T,U,Y,Z | 3CC4 | 0.71 | |
RFX | (3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan- 1-amine | A | 3GWV | 0.72 | |
959 | benzyl (2-oxopropyl)carbamate | A | 3D62 | 0.8 | |
FOS | [[N-(BENZYLOXYCARBONYL)AMINO]METHYL]PHOSPHATE | A | 1BLH | 0.72 | |
FOS | [[N-(BENZYLOXYCARBONYL)AMINO]METHYL]PHOSPHATE | A | 1AXB | 0.72 | |
BZM | BENZOIC ACID PHENYLMETHYLESTER | A,B | 1DZM | 0.72 | |
MTJ | N,O-DIMETHYL-L-TYROSINE | A,B | 1ATL | 0.7 | |
1ZN | (2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy- 2,6,8-trimethyl-10-phenyldeca-4,6- dienoic acid | C,F,M,N | 2IAE | 0.73 | |
BBL | N-[(BENZYLOXY)CARBONYL]-L-ALANINE | A,I | 2H9H | 0.73 | |
BBL | N-[(BENZYLOXY)CARBONYL]-L-ALANINE | A,I | 2HAL | 0.73 | |
BBL | N-[(BENZYLOXY)CARBONYL]-L-ALANINE | A | 2A4O | 0.73 | |
BBL | N-[(BENZYLOXY)CARBONYL]-L-ALANINE | A,I | 2H6M | 0.73 | |
BBL | N-[(BENZYLOXY)CARBONYL]-L-ALANINE | A | 2CXV | 0.73 | |
MX4 | {1-[4-(BENZYLOXY)-4-OXOBUTANOYL]HYDRAZINO}ACETIC ACID | I | 2C2M | 0.73 | |
ZFB | (3R)-3-{[(BENZYLOXY)CARBONYL]AMINO}- 2-OXO-4-PHENYLBUTANE-1-DIAZONIUM | A,B,C,D | 1PVJ | 0.73 | |
KI2 | 3-BENZYLOXYCARBONYLAMINO-2-HYDROXY- 4-PHENYL-BUTYRIC ACID | A,B,I,J | 1NH0 | 0.71 | |
KI2 | 3-BENZYLOXYCARBONYLAMINO-2-HYDROXY- 4-PHENYL-BUTYRIC ACID | I | 1U8G | 0.71 | |
ZHH | 2-(4-METHOXYPHENYL)ETHANAMINE | D,H | 2HKR | 0.71 | |
FC1 | THIOCOUMARIN | A | 2BHJ | 0.77 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A,B,M,N | 1FJM | 0.73 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A | 1EVA | 0.73 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A | 1LCM | 0.73 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A,B,C,D,E,F, G,H | 2NYM | 0.73 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | C,I | 2IE3 | 0.73 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | C,F,X,Y | 2NPP | 0.73 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A | 1EVC | 0.73 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | C,F,G,H | 3DW8 | 0.73 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A,B,C,D,E,F, G,H | 2NYL | 0.73 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A | 1EVD | 0.73 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A | 1EVB | 0.73 | |
CTX | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINE | A,B,C | 1YA4 | 0.7 | |
2PM | N-[2-(BENZHYDRYLOXY)ETHYL]-N,N- DIMETHYLAMINE | A,B | 2AOT | 0.83 | |
SS1 | 1-PHENYLETHANOL | H | 1UM5 | 0.71 | |
CT1 | (1R)-2-METHYL-1-(PHENYLMETHYL)PROPYL[(1S)- 1-FORMYLPENTYL]CARBAMATE | A | 2AUX | 0.71 | |
HTQ | HOMOTROPINE | A,B,C | 2DQZ | 0.75 | |
HTQ | HOMOTROPINE | A,B,C,D,E,F | 1MX5 | 0.75 | |
SB3 | 1,3-DIPHENYL-1-PROPYL-1-(3,3-DIMETHYL- 1,2-DIOXYPENTYL)-2-PIPERIDINE CARBOXYLATE | A | 1FKG | 0.76 | |
MFD | (2S,3S,8S,9S)-3-AMINO-9-METHOXY- 2,6,8-TRIMETHYL-10-PHENYLDECA-4,6- DIENOIC ACID | A | 1AY3 | 0.73 | |
MY2 | {1-[(3S)-4-(BENZYLOXY)-3-HYDROXY- 4-OXOBUTANOYL]HYDRAZINO}ACETIC ACID | I | 2CNK | 0.71 | |
BS1 | (3-EXO)-3-(10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN- 5-YLOXY)-8,8-DIMETHYL-8-AZONIABICYCLO[3.2.1]OCTANE | A,F | 2W8F | 0.77 | |
NBL | N2-[(BENZYLOXY)CARBONYL]-N1-[(3S)- 1-CYANOPYRROLIDIN-3-YL]-L-LEUCINAMIDE | A | 1YK7 | 0.71 | |
COC | COCAINE | A,C | 1I7Z | 0.73 | |
COC | COCAINE | H | 1Q72 | 0.73 | |
COC | COCAINE | L | 2AJV | 0.73 | |
COC | COCAINE | A,B,C,D,E | 2PGZ | 0.73 | |
F3G | 3-[2-(2-BENZYLOXYCARBONYLAMINO- 3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]- 4-OXO-PENTANOIC ACID | A | 2HBY | 0.71 | |
F3G | 3-[2-(2-BENZYLOXYCARBONYLAMINO- 3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]- 4-OXO-PENTANOIC ACID | A | 2H4Y | 0.71 | |
F3G | 3-[2-(2-BENZYLOXYCARBONYLAMINO- 3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]- 4-OXO-PENTANOIC ACID | A | 2HBR | 0.71 | |
F3G | 3-[2-(2-BENZYLOXYCARBONYLAMINO- 3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]- 4-OXO-PENTANOIC ACID | A | 2H4W | 0.71 | |
F3G | 3-[2-(2-BENZYLOXYCARBONYLAMINO- 3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]- 4-OXO-PENTANOIC ACID | A | 2H48 | 0.71 | |
F3G | 3-[2-(2-BENZYLOXYCARBONYLAMINO- 3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]- 4-OXO-PENTANOIC ACID | A | 2H54 | 0.71 | |
F3G | 3-[2-(2-BENZYLOXYCARBONYLAMINO- 3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]- 4-OXO-PENTANOIC ACID | A | 2H51 | 0.71 | |
F3G | 3-[2-(2-BENZYLOXYCARBONYLAMINO- 3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]- 4-OXO-PENTANOIC ACID | A | 2HBZ | 0.71 | |
F3G | 3-[2-(2-BENZYLOXYCARBONYLAMINO- 3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]- 4-OXO-PENTANOIC ACID | A | 2HBQ | 0.71 | |
ZRA | BENZOYL-ARGININE-ALANINE-METHYL KETONE | A | 2AIM | 0.71 | |
RSO | R-STYRENE OXIDE | A,B | 1PWZ | 0.76 | |
BGG | CARBONIC ACID MONOBENZYL ESTER | B,D | 1DLK | 0.76 | |
LOB | LOBELINE | A,B,C,D,E,F, G,H,I,J | 2BYS | 0.7 |