Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02653081
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 |
410 | 4-bromo-3-(carboxymethoxy)-5-{3- [cyclohexyl(phenylcarbonyl)amino]phenyl}thiophene- 2-carboxylic acid | A | 2ZN7 | 0.71 | |
RDA | METHYL 3-CHLORO-2-{3-[(2,5-DIHYDROXY- 4-METHOXYPHENYL)AMINO]-3-OXOPROPYL}- 4,6-DIHYDROXYBENZOATE | A,B | 2GFD | 0.71 | |
RDA | METHYL 3-CHLORO-2-{3-[(2,5-DIHYDROXY- 4-METHOXYPHENYL)AMINO]-3-OXOPROPYL}- 4,6-DIHYDROXYBENZOATE | A | 2FXS | 0.71 | |
OXI | OXOLINIC ACID | A,B | 1KSE | 0.73 | |
MBQ | 2-HYDROXY-5-({1-[(4-METHYLPHENOXY)METHYL]- 3-OXOPROP-1-ENYL}AMINO)-L-TYROSINE | A | 1SIH | 0.73 | |
RDE | 2-(3-AMINO-2,5,6-TRIMETHOXYPHENYL)ETHYL 5- CHLORO-2,4-DIHYDROXYBENZOATE | A,B | 2FYP | 0.7 | |
RDE | 2-(3-AMINO-2,5,6-TRIMETHOXYPHENYL)ETHYL 5- CHLORO-2,4-DIHYDROXYBENZOATE | A | 1ZWH | 0.7 | |
CNO | 2-{4-[(3{2-[4-(1-CARBOXY-1-METHYL- ETHOXY)-PHENYL]-ACETYLAMINO}-PHENYLCARBAMOYL)- METHYL]-PHENOXY}-2-METHYL-PROPIONIC ACID | A,B,C,D | 1K0Y | 0.7 | |
MOB | A,B | 1SRH | 0.72 | ||
IC1 | 3-[(2,4,6-TRIMETHOXY-PHENYL)-METHYLENE]- INDOLIN-2-ONE | A,B | 1EH4 | 0.75 | |
371 | 2-(3,4-DIHYDROXYPHENYL)-8-(1,1- DIOXIDOISOTHIAZOLIDIN-2-YL)-3-HYDROXY- 6-METHYL-4H-CHROMEN-4-ONE | A | 2DUV | 0.79 | |
NBQ | 2-HYDROXY-5-({1-[(2-NAPHTHYLOXY)METHYL]- 3-OXOPROP-1-ENYL}AMINO)TYROSINE | A | 1SII | 0.7 | |
E20 | 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON- 2-YL)METHYL]PIPERIDINE | A | 1EVE | 0.72 | |
R19 | ALLYL-{6-[3-(4-BROMO-PHENYL)-BENZOFURAN- 6-YLOXY]-HEXYL-}-METHYL-AMIN | A,B,C | 1O6R | 0.7 | |
L41 | {4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acid | A,B | 3D5F | 0.72 | |
346 | (R)-(4-CARBAMIMIDOYL-PHENYLAMINO)- [5-ETHOXY-2-FLUORO-3-[(R)-TETRAHYDRO- FURAN-3-YLOXY]-PHENYL]-ACETIC ACID | H | 2BZ6 | 0.73 | |
RQ3 | 2-{4-[(3,5-DIMETHYLANILINO)-CARBONYL- METHYL]-PHENOXY}-2-METHYLPROPIONIC ACID | A,B,C,D | 1G9V | 0.72 | |
024 | 4-BROMO-3-(CARBOXYMETHOXY)-5-[3- (CYCLOHEXYLAMINO)PHENYL]THIOPHENE- 2-CARBOXYLIC ACID | A | 2QBS | 0.71 | |
561 | 6-HYDROXY-3-{(4R)-1-[4-(1-NAPHTHYLAMINO)- 4-OXOBUTYL]-1,2,3-TRIAZOLIDIN-4- YL}-1-BENZOFURAN-5-CARBOXYLIC ACID | A,B | 2QCT | 0.7 | |
418 | 2-{4-[2-(S)-ALLYLOXYCARBONYLAMINO- 3-{4-[(2-CARBOXY-PHENYL)-OXALYL- AMINO]-PHENYL}-PROPIONYLAMINO]- BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER | A | 1PH0 | 0.73 | |
DRF | (2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN- 10-YL)ETHOXY]PHENYL}PROPANOIC ACID | A | 1NYX | 0.72 | |
MGI | methyl 4-(2,3-dihydroxy-5-methylphenoxy)- 2-hydroxy-6-methylbenzoate | A | 2ZA0 | 0.73 | |
4B3 | 4-BROMO-3-(CARBOXYMETHOXY)-5-{3- [(3,3,5,5-TETRAMETHYLCYCLOHEXYL)AMINO]PHENYL}THIOPHENE- 2-CARBOXYLIC ACID | A | 2QBQ | 0.7 | |
DH2 | (2S,3S)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE | A | 1GP5 | 0.72 | |
DH2 | (2S,3S)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE | A | 1GP6 | 0.72 | |
RHO | TETRAMETHYLRHODAMINE-5-MALEIMIDE | A | 1J6Z | 0.71 | |
RHO | TETRAMETHYLRHODAMINE-5-MALEIMIDE | A | 1NWK | 0.71 | |
429 | 2-{4-[2-ACETYLAMINO-3-(4-CARBOXYMETHOXY- 3-HYDROXY-PHENYL)-PROPIONYLAMINO]- BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER | A | 1QXK | 0.74 | |
PY9 | 4-{[(2R)-2-(2-methylphenyl)pyrrolidin- 1-yl]carbonyl}benzene-1,3-diol | A,B | 3EKR | 0.71 | |
FLQ | N-[6-(ACETYLAMINO)HEXYL]-3',6'- DIHYDROXY-3-OXO-3H-SPIRO[2-BENZOFURAN- 1,9'-XANTHENE]-6-CARBOXAMIDE | C | 2FDC | 0.71 | |
9AR | 9-HYDROXY ARISTOLOCHIC ACID | A,B | 1FV0 | 0.7 | |
FSE | 3,7,3',4'-TETRAHYDROXYFLAVONE | B | 1XO2 | 0.74 | |
SMA | STIGMATELLIN A | A,C,D,E,N,P, Q,R | 3H1I | 0.72 | |
SMA | STIGMATELLIN A | A,B,C,D,E,F, G,O,P,Q,R,S,T | 1PPJ | 0.72 | |
SMA | STIGMATELLIN A | A,C,D,E,L,N, O,P,W | 3CXH | 0.72 | |
SMA | STIGMATELLIN A | C,D,E,P,Q,R | 1ZRT | 0.72 | |
SMA | STIGMATELLIN A | C,H,L,M | 2JBL | 0.72 | |
SMA | STIGMATELLIN A | A,B,C,D,E,F, G,I,N,O,P,Q, R,S,T,U,V,W | 2A06 | 0.72 | |
SMA | STIGMATELLIN A | A,B,C,D,E,F, G,H,I,J,K,L | 2QJP | 0.72 | |
SMA | STIGMATELLIN A | A,C,D,E | 1KB9 | 0.72 | |
SMA | STIGMATELLIN A | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R | 2QJK | 0.72 | |
SMA | STIGMATELLIN A | A,B,C,D,E,F, G,N,O,P,Q,R, S,T | 1PP9 | 0.72 | |
SMA | STIGMATELLIN A | C,D,E | 2IBZ | 0.72 | |
SMA | STIGMATELLIN A | A,C,D,E,L,N, O,P,W | 3CX5 | 0.72 | |
SMA | STIGMATELLIN A | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R | 2FYN | 0.72 | |
SMA | STIGMATELLIN A | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R | 2QJY | 0.72 | |
SMA | STIGMATELLIN A | C,D,E | 1EZV | 0.72 | |
SMA | STIGMATELLIN A | C,D,E,N,O,P,W | 1KYO | 0.72 | |
SMA | STIGMATELLIN A | A,C,D,E,G,N, P,Q,R,S | 3H1J | 0.72 | |
SMA | STIGMATELLIN A | C,D,E | 1SQX | 0.72 | |
DQH | (2R,3R)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE | A | 1GP5 | 0.72 | |
DQH | (2R,3R)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE | D,F | 2C29 | 0.72 | |
ERD | (2S)-2-(3,4-DIHYDROXYPHENYL)-5,7- DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN- 4-ONE | D,F | 2NNL | 0.7 | |
SIG | STIGMATELLIN | C,D,E | 2BCC | 0.72 | |
SIG | STIGMATELLIN | C,D,E | 3BCC | 0.72 | |
FLG | FLUORESCEINYLTHIOUREIDO | A,B | 1OCB | 0.74 | |
NLX | (5A,17R)-4,5-EPOXY-3,14-DIHYDROXY- 17-METHYL-6-OXO-17-(2-PROPENYL)- MORPHINANIUM | A,B,C,D,E,F, G,H,I,J,K,L | 1MX9 | 0.71 | |
MYF | 5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE | A | 2O65 | 0.72 | |
MYC | 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE | A,B,C,D | 3C1T | 0.72 | |
MYC | 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE | A | 2O63 | 0.72 | |
MYC | 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE | A | 1E90 | 0.72 | |
MYC | 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE | A,B,C,D | 2IOD | 0.72 | |
TDS | 8-HYDROXY-5,7-DIMETHOXY-3-METHYL- 2-TRIDECYL-4H-CHROMEN-4-ONE | A,B,C,D,L,R | 1Q90 | 0.72 | |
TDS | 8-HYDROXY-5,7-DIMETHOXY-3-METHYL- 2-TRIDECYL-4H-CHROMEN-4-ONE | A,B,C,D,G | 2E76 | 0.72 | |
TDS | 8-HYDROXY-5,7-DIMETHOXY-3-METHYL- 2-TRIDECYL-4H-CHROMEN-4-ONE | A,B,C,D,E,N, O,P,Q,R | 1VF5 | 0.72 | |
MYU | 3,5,6,7-TETRAHYDROXY-2-(3,4-DIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE | A | 2O64 | 0.73 | |
D27 | 2-{[(2E)-3-(3,4-dimethoxyphenyl)prop- 2-enoyl]amino}benzoic acid | A,B,C,D | 2VD0 | 0.74 | |
R2C | 5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACID | A | 2PRL | 0.71 | |
CX6 | 2,3,6A,7,8,9-HEXAHYDRO-11H-[1,4]DIOXINO[2,3- G]PYRROLO[2,1-B][1,3]BENZOXAZIN- 11-ONE | A,B,C,D,E,F | 2AL4 | 0.72 | |
QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A,B,C,D,E,F | 3BXX | 0.73 | |
QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A | 2O3P | 0.73 | |
QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A,B | 2UXH | 0.73 | |
QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A | 1GP6 | 0.73 | |
QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A | 2C9Z | 0.73 | |
QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A,B,C,D,E,F, G,H,I,J,K,L, M,N | 2JJ2 | 0.73 | |
QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A | 3BPT | 0.73 | |
QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A,B,C,D,E,F | 3CF8 | 0.73 | |
QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A,B | 2HCK | 0.73 | |
QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A,B,C,D | 1H1I | 0.73 | |
QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A | 1E8W | 0.73 | |
910 | 5-[3-(BENZYLAMINO)PHENYL]-4-BROMO- 3-(CARBOXYMETHOXY)THIOPHENE-2-CARBOXYLIC ACID | A | 2QBR | 0.71 | |
CYF | 5-[2-(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)- ACETYLAMINO]-2-(3,6-DIHYDROXY-9,9A- DIHYDRO-3H-XANTHEN-9-YL)-BENZOIC ACID | L,P | 1MPA | 0.7 | |
CYF | 5-[2-(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)- ACETYLAMINO]-2-(3,6-DIHYDROXY-9,9A- DIHYDRO-3H-XANTHEN-9-YL)-BENZOIC ACID | L,P | 2MPA | 0.7 | |
CYF | 5-[2-(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)- ACETYLAMINO]-2-(3,6-DIHYDROXY-9,9A- DIHYDRO-3H-XANTHEN-9-YL)-BENZOIC ACID | I,L | 1DZH | 0.7 | |
C01 | (2S)-(4-ISOPROPYLPHENYL)[(2-METHYL- 3-OXO-5,7-DIPROPYL-2,3-DIHYDRO- 1,2-BENZISOXAZOL-6-YL)OXY]ACETATE | A | 1ZEO | 0.73 | |
TMS | N-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY- PHENYL)-VINYL]-BENZAMIDE | A,B | 1X6W | 0.72 |