Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02371067
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 |
TRT | FRAGMENT OF TRITON X-100 | A,E | 2I0U | 0.72 | |
TRT | FRAGMENT OF TRITON X-100 | A,B | 1OIZ | 0.72 | |
BM6 | 4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN- 2-YL]-BENZOIC ACID | A | 1MVC | 0.74 | |
BM6 | 4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN- 2-YL]-BENZOIC ACID | A,C,E,G | 1MZN | 0.74 | |
959 | benzyl (2-oxopropyl)carbamate | A | 3D62 | 0.71 | |
OST | METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE | C,D,E | 1SQQ | 0.78 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1K5S | 0.74 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1KEC | 0.74 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1K7D | 0.74 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A | 1OS0 | 0.72 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJI | 0.72 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJJ | 0.72 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 2VS2 | 0.72 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 1OD1 | 0.72 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | E | 1EPR | 0.72 | |
SEM | 3-AMINO-4-OXYBENZYL-2-BUTANONE | A,B | 1THE | 0.71 | |
PPT | 3-(P-TOLYL)PROPIONIC ACID | A,B | 2AY4 | 0.72 | |
SMN | (S)-MANDELIC ACID | A | 1MDL | 0.7 | |
UIN | 5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE | B | 5UPJ | 0.74 | |
FL2 | FLURBIPROFEN METHYL ESTER | A,B | 1HT5 | 0.78 | |
1NH | (2E,6E)-8-[(3-BENZOYLBENZYL)OXY]- 3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE | B | 1O1S | 0.7 | |
GW5 | (2E)-3-{4-[(1E)-1,2-DIPHENYLBUT- 1-ENYL]PHENYL}ACRYLIC ACID | A,B,C | 1R5K | 0.71 | |
FLP | FLURBIPROFEN | A,B,C,D | 3PGH | 0.74 | |
FLP | FLURBIPROFEN | A,B | 1CQE | 0.74 | |
FLP | FLURBIPROFEN | A,B | 1EQH | 0.74 | |
FLP | FLURBIPROFEN | A,B | 2AYL | 0.74 | |
FLP | FLURBIPROFEN | A | 1DVT | 0.74 | |
FLP | FLURBIPROFEN | A | 1R9O | 0.74 | |
NDH | (1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE | A,B | 1O7P | 0.7 | |
SS1 | 1-PHENYLETHANOL | H | 1UM5 | 0.73 | |
2NA | naphthalen-2-ylmethanol | A,B,C | 3EE5 | 0.74 | |
APG | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MRA | 0.72 | |
APG | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MNS | 0.72 | |
APG | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1DTN | 0.72 | |
APG | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MDR | 0.72 | |
RSO | R-STYRENE OXIDE | A,B | 1PWZ | 0.78 | |
ZZ1 | 4-METHYL-2H-CHROMEN-2-ONE | A | 2CIP | 0.72 | |
DBA | (2,6-DIMETHYL-PHENOXY)-ACETIC ACID | A,B | 1IDB | 0.72 | |
DFA | DIPHENYLACETIC ACID | A,B,C | 1GMY | 0.74 | |
BGG | CARBONIC ACID MONOBENZYL ESTER | B,D | 1DLK | 0.82 | |
NOA | NAPHTHYLOXYACETIC ACID | A,B,I | 1HIV | 0.7 | |
NOA | NAPHTHYLOXYACETIC ACID | I | 1IVP | 0.7 | |
NDD | 2,6-DICARBOXYNAPHTHALENE | A | 1U4O | 0.7 | |
NDD | 2,6-DICARBOXYNAPHTHALENE | A,B,C,D | 1HAC | 0.7 | |
12M | (2-ETHYLPHENYL)METHANOL | A,B | 2F62 | 0.74 | |
FBC | A,B | 2B9A | 0.72 | ||
HXS | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.72 | |
BFL | A,B | 1Q4G | 0.77 | ||
BZM | BENZOIC ACID PHENYLMETHYLESTER | A,B | 1DZM | 0.8 | |
R13 | 3-METHYL-7-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL) -OCTA-2,4,6-TRIENOIC ACID | A | 2CBS | 0.71 | |
PAC | 2-PHENYLACETIC ACID | B | 1PNL | 0.7 | |
PAC | 2-PHENYLACETIC ACID | B | 1K5Q | 0.7 | |
PAC | 2-PHENYLACETIC ACID | B | 1FXH | 0.7 | |
PAC | 2-PHENYLACETIC ACID | A | 2ISF | 0.7 | |
PAC | 2-PHENYLACETIC ACID | A | 2INE | 0.7 | |
TTB | 4-[(1E)-2-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)PROP-1-ENYL]BENZOIC ACID | A | 1XAP | 0.71 | |
NLA | NAPHTHALEN-1-YL-ACETIC ACID | A,B,C,D | 1LRH | 0.7 | |
NLA | NAPHTHALEN-1-YL-ACETIC ACID | B | 2P1O | 0.7 | |
OBZ | O-benzylhydroxylamine | A,B | 3DTH | 0.73 | |
OBZ | O-benzylhydroxylamine | A,B | 3DTG | 0.73 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2E2R | 0.7 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2P7G | 0.7 | |
PFI | (6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO- 4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY- 5,6-DIHYDRO-2H-PYRAN-2-ONE | A | 2HAI | 0.71 | |
L79 | (S)-(2E)-3[4-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-2-NAPHTHALENYL)TETRAHYDRO- 1-BENZOFURAN-2-YL]-2-PROPENOIC ACID | A,D | 1RDT | 0.77 | |
T3O | 4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3- OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL | A,B | 2G44 | 0.72 | |
2PM | N-[2-(BENZHYDRYLOXY)ETHYL]-N,N- DIMETHYLAMINE | A,B | 2AOT | 0.76 | |
IBP | IBUPROFEN | A | 3FKX | 0.76 | |
IBP | IBUPROFEN | A,B | 2BXG | 0.76 | |
IBP | IBUPROFEN | A,B | 1EQG | 0.76 | |
IBP | IBUPROFEN | A,B,C | 2WD9 | 0.76 | |
IBP | IBUPROFEN | A | 2PWS | 0.76 | |
S1A | SORAPHEN A | A,B | 3GID | 0.71 | |
S1A | SORAPHEN A | A,B,C | 1W96 | 0.71 | |
NPS | (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | A | 2VDB | 0.72 | |
NIU | 6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE | A | 6UPJ | 0.74 | |
R12 | 9-(4-HYDROXY-2,6-DIMETHYL-PHENYL)- 3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID | A | 3CBS | 0.71 | |
459 | 4-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)- 8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON- 7-EN-2-YL]PHENOL | A,B | 2FAI | 0.71 | |
4FC | A | 1YSG | 0.73 | ||
TON | 2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL | A,B | 1SEZ | 0.71 | |
4MA | 4-METHYLBENZOIC ACID | A,H | 2HRG | 0.72 | |
PHQ | FORMIC ACID BENZYL ESTER | A,I | 2F4O | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KJO | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CDR | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C1E | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 5PAD | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | E,F | 1JXQ | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 2CNO | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 1CGL | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2AZ9 | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C2K | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | A,I | 2CNL | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KJP | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C2M | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2AZB | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 9HVP | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1ESB | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | E,F | 1DY8 | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 1PPM | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 1GEC | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KS7 | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | C | 1A8G | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KKK | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | T,U,V,W,X,Y | 1QDU | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 4TMN | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 5TMN | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KTO | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | A,C | 1TG1 | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2AZ8 | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 2G58 | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | Q,R,S,T,U,V | 1F9E | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CJY | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | A,I | 1E8M | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KR6 | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 6TMN | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KRO | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CNN | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C2O | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 1SQZ | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 1THE | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | I,J | 2AZC | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 5EST | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CNK | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KL6 | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 6PAD | 0.83 | |
PHQ | FORMIC ACID BENZYL ESTER | B,I | 2C2Z | 0.83 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZK0 | 0.73 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJZ | 0.73 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJY | 0.73 | |
26C | A,B | 2F7I | 0.72 | ||
RMN | (R)-MANDELIC ACID | A | 1MDL | 0.7 | |
RMN | (R)-MANDELIC ACID | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 1MCZ | 0.7 | |
CIN | 4-CARBOXYCINNAMIC ACID | A,B,C,D | 1HAB | 0.7 | |
CIN | 4-CARBOXYCINNAMIC ACID | A,B | 1T6J | 0.7 |