Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02241743
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 |
RM2 | 4-HYDROXY-N-PROPARGYL-1(R)-AMINOINDAN | A,B | 2C66 | 0.71 | |
BM4 | 3-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl- 3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan- 3-yl]phenol | X | 2W6C | 0.8 | |
Y13 | (2E)-3-(3,4-DIHYDROXYPHENYL)-N- [2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE | A | 2EW6 | 0.77 | |
BPZ | 4,4'-cyclohexane-1,1-diyldiphenol | A | 2ZKC | 0.77 | |
247 | (3R)-3-amino-2,2-difluoro-3-(4- hydroxyphenyl)propanoic acid | A,B | 2QVE | 0.71 | |
OTR | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGT | 0.74 | |
OTR | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG2 | 0.74 | |
OTR | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 2AN4 | 0.74 | |
17M | 17-METHYL-17-ALPHA-DIHYDROEQUILENIN | A,B | 2B1Z | 0.71 | |
EYK | 2-tert-butylbenzene-1,4-diol | D,F | 3EYM | 0.73 | |
EYK | 2-tert-butylbenzene-1,4-diol | B | 3EYK | 0.73 | |
401 | (2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]- 4-methoxybenzyl}butanoic acid | A,B | 2ZNQ | 0.71 | |
EPT | HEPTANYL-P-PHENOL | A,B | 1AHZ | 0.73 | |
SFX | (3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan- 1-amine | A | 3GWW | 0.72 | |
LYL | 2-ALLYL-6-METHYL-PHENOL | A | 1OV7 | 0.72 | |
D4P | (2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID | A | 1DSR | 0.71 | |
D4P | (2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID | A,B,C,D,E,F, G,H | 1W7R | 0.71 | |
D4P | (2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 1W7Q | 0.71 | |
IFB | N-[(2',4'-DIFLUORO-4-HYDROXY-5- IODOBIPHENYL-3-YL)CARBONYL]-BETA- ALANINE | A,B | 3FCB | 0.74 | |
OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG2 | 0.74 | |
OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG1 | 0.74 | |
OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RH0 | 0.74 | |
OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGU | 0.74 | |
OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGT | 0.74 | |
8PP | 2-[(2E,6E,10E,14E,18E,22E,26E)- 3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA- 2,6,10,14,18,22,26,30-OCTAENYL]PHENOL | A,B,C,D | 1Y0G | 0.72 | |
ALE | L-EPINEPHRINE | A | 3PAH | 0.73 | |
ALE | L-EPINEPHRINE | A | 2HKK | 0.73 | |
RFX | (3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan- 1-amine | A | 3GWV | 0.72 | |
4HL | 4-(HYDRAZINOMETHYL)PHENOL | A,B | 2E2U | 0.75 | |
108 | 2-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)- PROPIONIC ACID | A | 1G3B | 0.75 | |
108 | 2-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)- PROPIONIC ACID | A | 1G3D | 0.75 | |
SAF | 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL | A | 1GQR | 0.81 | |
SAF | 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL | A | 1GQS | 0.81 | |
CZM | 'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)- BENZENE-1,2-DIAMINE' | A | 1J3F | 0.7 | |
CZM | 'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)- BENZENE-1,2-DIAMINE' | A | 1UFJ | 0.7 | |
CZM | 'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)- BENZENE-1,2-DIAMINE' | A | 1V9Q | 0.7 | |
PZM | 1-(4-METHOXYPHENYL)METHANAMINE | A,D,H | 2HJB | 0.71 | |
ARY | ARYLOMYCIN A2 | A,B | 1T7D | 0.72 | |
LJ1 | 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol | A,B | 3CN0 | 0.76 | |
DRQ | (9ALPHA,13BETA,17BETA)-2-[(1Z)- BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE- 3,17-DIOL | A,B | 2G5O | 0.7 | |
SLX | (13aS)-3,10-dimethoxy-5,8,13,13a- tetrahydro-6H-isoquino[3,2-a]isoquinoline- 2,9-diol | A | 3FW9 | 0.71 | |
LDP | L-DOPAMINE | A,B | 2A3R | 0.75 | |
LDP | L-DOPAMINE | A | 5PAH | 0.75 | |
LDP | L-DOPAMINE | A,B | 2QMZ | 0.75 | |
LDP | L-DOPAMINE | A,B | 2VQ5 | 0.75 | |
DES | DIETHYLSTILBESTROL | A,B,C,D | 1S9P | 0.75 | |
DES | DIETHYLSTILBESTROL | A,B | 3ERD | 0.75 | |
DES | DIETHYLSTILBESTROL | A,B | 1TT6 | 0.75 | |
DES | DIETHYLSTILBESTROL | A,B,C,D | 1TZ8 | 0.75 | |
BHQ | 2,5-DITERT-BUTYLBENZENE-1,4-DIOL | A,B | 2AGV | 0.71 | |
1OH | 4-(1-methyl-1-phenylethyl)phenol | A | 2ZAS | 0.79 | |
AEG | 4-[(2R)-2-aminopropyl]phenol | A | 3BUF | 0.79 | |
B3Y | (3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID | A | 3HF0 | 0.72 | |
B3Y | (3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID | A | 2OXK | 0.72 | |
B3Y | (3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID | A,B,C | 2OXJ | 0.72 | |
A48 | 4-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOL | A,B | 2Q6J | 0.74 | |
IPB | 5-METHYL-2-(1-METHYLETHYL)PHENOL | A,B | 1E06 | 0.72 | |
11N | 1-[1'-(3-phenylacryloyl)spiro[1- benzofuran-3,4'-piperidin]-5-yl]methanamine | A,B,C,D | 2ZEC | 0.7 | |
FEN | N-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDE | A | 1FEL | 0.71 | |
1NP | 1-NAPHTHOL | X | 2ZVQ | 0.71 | |
109 | 2-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)- PROPIONIC ACID | A | 1G3C | 0.72 | |
109 | 2-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)- PROPIONIC ACID | A | 1G3E | 0.72 | |
AEH | 4-(2-aminoethyl)-2-ethylphenol | A | 3BUG | 0.83 | |
HV7 | 1-METHYLAMINE-2-HYDROXY-4-METHOXY- BENZENE | C | 1A8G | 0.73 | |
NLT | N-DODECANOYL-L-TYROSINE | A,B,C,D,E,F, G,H | 2G0B | 0.72 | |
PFL | 2,6-BIS(1-METHYLETHYL)PHENOL | A,B | 1E7A | 0.73 | |
3QC | (4R)-4-(3-HYDROXYPHENYL)-N,N,7,8- TETRAMETHYL-3,4-DIHYDROISOQUINOLINE- 2(1H)-CARBOXAMIDE | A,B | 2FME | 0.77 | |
BPY | BIPHENYL-2,3-DIOL | A | 1KMY | 0.71 | |
BPY | BIPHENYL-2,3-DIOL | B | 1KW8 | 0.71 | |
BPY | BIPHENYL-2,3-DIOL | A | 2EI3 | 0.71 | |
BPY | BIPHENYL-2,3-DIOL | A | 1EIR | 0.71 | |
BPY | BIPHENYL-2,3-DIOL | B | 1KW6 | 0.71 | |
BPY | BIPHENYL-2,3-DIOL | B | 1KWC | 0.71 | |
BPY | BIPHENYL-2,3-DIOL | B | 1KW9 | 0.71 | |
ETC | (R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL | A,B | 1L2I | 0.71 | |
ETC | (R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL | A,B | 1L2J | 0.71 | |
ETY | 4-ethylphenol | A,B,C,D | 2RA6 | 0.7 | |
1BA | 4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE | A | 2GPP | 0.71 | |
DTY | D-TYROSINE | A | 1C4B | 0.7 | |
DTY | D-TYROSINE | A,L | 1ZEA | 0.7 | |
DTY | D-TYROSINE | A,B,C,D,E,F, G,H | 1OF6 | 0.7 | |
DTY | D-TYROSINE | A,B | 1UNO | 0.7 | |
DTY | D-TYROSINE | A | 2IGZ | 0.7 | |
DTY | D-TYROSINE | A,B,C,H,K,L | 2R5D | 0.7 | |
DTY | D-TYROSINE | A,B | 2Q33 | 0.7 | |
DTY | D-TYROSINE | H,S | 2H9E | 0.7 | |
DTY | D-TYROSINE | A,B,C,H,K,L | 2R5B | 0.7 | |
DTY | D-TYROSINE | A | 2IH0 | 0.7 | |
DTY | D-TYROSINE | A | 1D7T | 0.7 | |
DTY | D-TYROSINE | A,B | 1XA0 | 0.7 | |
HXS | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.77 | |
REN | (S)-reticuline | A | 3FWA | 0.71 | |
REN | (S)-reticuline | A | 3D2D | 0.71 | |
2MP | 3,4-DIMETHYLPHENOL | A | 1L5O | 0.71 | |
TYB | TYROSINAL | A,B | 1KDZ | 0.7 | |
TYB | TYROSINAL | A | 1Q11 | 0.7 | |
TYB | TYROSINAL | A,B | 2J5B | 0.7 | |
TYB | TYROSINAL | A,I | 1GA4 | 0.7 | |
TYB | TYROSINAL | A,B,C | 1NLU | 0.7 | |
TYB | TYROSINAL | A,B | 1KE1 | 0.7 | |
TYB | TYROSINAL | A,B | 1H3F | 0.7 | |
TYB | TYROSINAL | A,B | 1H3E | 0.7 | |
AOE | N-BUTYL-11-[(7R,8R,9S,13S,14S,17S)- 3,17-DIHYDROXY-13-METHYL-7,8,9,11,12,13,14,15,16,17- DECAHYDRO-6H-CYCLOPENTA[A]PHENANTHREN- 7-YL]-N-METHYLUNDECANAMIDE | A | 1HJ1 | 0.7 | |
DGH | (2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 1W7Q | 0.71 | |
DGH | (2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACID | A,B,C,D,E,F, G,H | 1W7R | 0.71 | |
55E | 4-(4-hydroxy-3-methylphenyl)-6- phenylpyrimidin-2(5H)-one | A | 3DCV | 0.7 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2E2R | 0.78 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2P7G | 0.78 | |
2LP | 2-ALLYLPHENOL | A | 1OV5 | 0.7 | |
AED | 4-(2-aminoethyl)-2-cyclohexylphenol | A | 3BUH | 0.84 | |
RHP | (3R)-3-(PROP-2-YNYLAMINO)INDAN- 5-OL | A,B | 1S3E | 0.8 | |
YTT | (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine- 2,5-dione | A | 3G5H | 0.73 | |
BP7 | 1,1'-BIPHENYL-3,4-DIOL | A | 2EI0 | 0.71 | |
GHP | 4-HYDROXYPHENYLGLYCINE | A | 1DSR | 0.71 | |
MOY | [(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL- 2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN- 5-YL](PHENYL)METHANONE | A,B | 2IEH | 0.71 | |
AEF | 4-(2-aminoethyl)phenol | A | 3BRA | 0.78 | |
MA0 | (1R)-6-HYDROXY-N-METHYL-N-[(1Z)- PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM | A,B | 2C64 | 0.76 | |
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 | 0.71 | |
LNR | L-NOREPINEPHRINE | A,B | 2QEO | 0.7 | |
LNR | L-NOREPINEPHRINE | A | 3DYE | 0.7 | |
LNR | L-NOREPINEPHRINE | A | 4PAH | 0.7 | |
TN1 | 5,6,7,8-TETRAHYDRONAPHTHALEN-1- OL | A | 1YSG | 0.71 | |
AHT | 4-(2,5-DIAMINO-5-HYDROXY-PENTYL)- PHENOL | I,T | 1TMB | 0.75 | |
2E3 | (2E)-3-[4-hydroxy-3-(3,5,5,8,8- pentamethyl-5,6,7,8-tetrahydronaphthalen- 2-yl)phenyl]prop-2-enoic acid | A | 3FUG | 0.72 | |
TYC | L-TYROSINAMIDE | A | 2BF9 | 0.7 | |
TYC | L-TYROSINAMIDE | A | 2OCI | 0.7 | |
IFA | A,B | 3FC8 | 0.73 | ||
ECA | N,N',N''-[BENZENE-1,3,5-TRIYLTRIS(METHYLENE)]TRIS(2,3- DIHYDROXYBENZAMIDE) | A,B | 2CHU | 0.71 |