Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02325724
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 |
AED | 4-(2-aminoethyl)-2-cyclohexylphenol | A | 3BUH | 0.79 | |
IPB | 5-METHYL-2-(1-METHYLETHYL)PHENOL | A,B | 1E06 | 0.75 | |
B3Y | (3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID | A | 3HF0 | 0.73 | |
B3Y | (3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID | A | 2OXK | 0.73 | |
B3Y | (3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID | A,B,C | 2OXJ | 0.73 | |
RHP | (3R)-3-(PROP-2-YNYLAMINO)INDAN- 5-OL | A,B | 1S3E | 0.78 | |
GHP | 4-HYDROXYPHENYLGLYCINE | A | 1DSR | 0.73 | |
SAF | 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL | A | 1GQR | 0.9 | |
SAF | 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL | A | 1GQS | 0.9 | |
RM2 | 4-HYDROXY-N-PROPARGYL-1(R)-AMINOINDAN | A,B | 2C66 | 0.76 | |
EYK | 2-tert-butylbenzene-1,4-diol | D,F | 3EYM | 0.73 | |
EYK | 2-tert-butylbenzene-1,4-diol | B | 3EYK | 0.73 | |
AHT | 4-(2,5-DIAMINO-5-HYDROXY-PENTYL)- PHENOL | I,T | 1TMB | 0.76 | |
BTM | N-benzyl-N,N-diethylethanaminium | A,B | 2Q9Y | 0.72 | |
MBD | 3-METHYLCATECHOL | A | 1KNF | 0.74 | |
LYL | 2-ALLYL-6-METHYL-PHENOL | A | 1OV7 | 0.77 | |
MCT | 4-METHYLCATECHOL | A | 1L4G | 0.71 | |
MCT | 4-METHYLCATECHOL | A | 2EHZ | 0.71 | |
MCT | 4-METHYLCATECHOL | A,B | 1DMH | 0.71 | |
NLT | N-DODECANOYL-L-TYROSINE | A,B,C,D,E,F, G,H | 2G0B | 0.71 | |
TN1 | 5,6,7,8-TETRAHYDRONAPHTHALEN-1- OL | A | 1YSG | 0.73 | |
109 | 2-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)- PROPIONIC ACID | A | 1G3C | 0.74 | |
109 | 2-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)- PROPIONIC ACID | A | 1G3E | 0.74 | |
BM4 | 3-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl- 3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan- 3-yl]phenol | X | 2W6C | 0.76 | |
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 | |
2MP | 3,4-DIMETHYLPHENOL | A | 1L5O | 0.74 | |
CMZ | (2S)-1-(2,5-dimethylphenoxy)-3- morpholin-4-ylpropan-2-ol | A | 2OF0 | 0.7 | |
AEG | 4-[(2R)-2-aminopropyl]phenol | A | 3BUF | 0.81 | |
ALE | L-EPINEPHRINE | A | 3PAH | 0.72 | |
ALE | L-EPINEPHRINE | A | 2HKK | 0.72 | |
SCL | ACETIC ACID SALICYLOYL-AMINO-ESTER | A | 1EBV | 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 | |
A48 | 4-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOL | A,B | 2Q6J | 0.75 | |
HV7 | 1-METHYLAMINE-2-HYDROXY-4-METHOXY- BENZENE | C | 1A8G | 0.76 | |
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 | |
DGH | (2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 1W7Q | 0.73 | |
DGH | (2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACID | A,B,C,D,E,F, G,H | 1W7R | 0.73 | |
108 | 2-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)- PROPIONIC ACID | A | 1G3B | 0.74 | |
108 | 2-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)- PROPIONIC ACID | A | 1G3D | 0.74 | |
2LP | 2-ALLYLPHENOL | A | 1OV5 | 0.79 | |
ZHH | 2-(4-METHOXYPHENYL)ETHANAMINE | D,H | 2HKR | 0.71 | |
EPT | HEPTANYL-P-PHENOL | A,B | 1AHZ | 0.78 | |
EDR | EDROPHONIUM ION | A | 1AX9 | 0.77 | |
EDR | EDROPHONIUM ION | A | 2ACK | 0.77 | |
1NP | 1-NAPHTHOL | X | 2ZVQ | 0.71 | |
4HL | 4-(HYDRAZINOMETHYL)PHENOL | A,B | 2E2U | 0.78 | |
MN7 | 1-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENE | N | 1NLO | 0.7 | |
AEF | 4-(2-aminoethyl)phenol | A | 3BRA | 0.81 | |
FCR | ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL | A,B | 1E0Y | 0.72 | |
FCR | ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL | A,B | 1E8G | 0.72 | |
2AC | 2-AMINO-P-CRESOL | H,I | 1A2C | 0.73 | |
2AC | 2-AMINO-P-CRESOL | A | 1L4M | 0.73 | |
TYB | TYROSINAL | A,B | 1KDZ | 0.72 | |
TYB | TYROSINAL | A | 1Q11 | 0.72 | |
TYB | TYROSINAL | A,B | 2J5B | 0.72 | |
TYB | TYROSINAL | A,I | 1GA4 | 0.72 | |
TYB | TYROSINAL | A,B,C | 1NLU | 0.72 | |
TYB | TYROSINAL | A,B | 1KE1 | 0.72 | |
TYB | TYROSINAL | A,B | 1H3F | 0.72 | |
TYB | TYROSINAL | A,B | 1H3E | 0.72 | |
PCR | P-CRESOL | A | 1JHV | 0.77 | |
PCR | P-CRESOL | A | 1JHU | 0.77 | |
PCR | P-CRESOL | A,B,C,D | 1DIQ | 0.77 | |
DTY | D-TYROSINE | A | 1C4B | 0.72 | |
DTY | D-TYROSINE | A,L | 1ZEA | 0.72 | |
DTY | D-TYROSINE | A,B,C,D,E,F, G,H | 1OF6 | 0.72 | |
DTY | D-TYROSINE | A,B | 1UNO | 0.72 | |
DTY | D-TYROSINE | A | 2IGZ | 0.72 | |
DTY | D-TYROSINE | A,B,C,H,K,L | 2R5D | 0.72 | |
DTY | D-TYROSINE | A,B | 2Q33 | 0.72 | |
DTY | D-TYROSINE | H,S | 2H9E | 0.72 | |
DTY | D-TYROSINE | A,B,C,H,K,L | 2R5B | 0.72 | |
DTY | D-TYROSINE | A | 2IH0 | 0.72 | |
DTY | D-TYROSINE | A | 1D7T | 0.72 | |
DTY | D-TYROSINE | A,B | 1XA0 | 0.72 | |
1OH | 4-(1-methyl-1-phenylethyl)phenol | A | 2ZAS | 0.73 | |
AEH | 4-(2-aminoethyl)-2-ethylphenol | A | 3BUG | 0.82 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2E2R | 0.73 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2P7G | 0.73 | |
LJ1 | 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol | A,B | 3CN0 | 0.75 | |
ETY | 4-ethylphenol | A,B,C,D | 2RA6 | 0.77 | |
HC4 | A | 1TS6 | 0.71 | ||
HC4 | A | 3PHY | 0.71 | ||
HC4 | A | 3PYP | 0.71 | ||
HC4 | A | 1T1C | 0.71 | ||
HC4 | A | 1OT6 | 0.71 | ||
HC4 | A | 1TS0 | 0.71 | ||
HC4 | A | 1T1A | 0.71 | ||
HC4 | A | 2PYP | 0.71 | ||
HC4 | A | 2ZOI | 0.71 | ||
HC4 | A | 1OTI | 0.71 | ||
HC4 | A | 1XFQ | 0.71 | ||
HC4 | A | 2D01 | 0.71 | ||
HC4 | A,B,C,D,E,F, G,H | 2O7B | 0.71 | ||
HC4 | A | 2ZOH | 0.71 | ||
HC4 | A | 1GSW | 0.71 | ||
HC4 | A | 2QJ7 | 0.71 | ||
HC4 | A | 1F9I | 0.71 | ||
HC4 | X | 1UWP | 0.71 | ||
HC4 | A | 2PHY | 0.71 | ||
HC4 | A | 1T1B | 0.71 | ||
HC4 | A | 1F98 | 0.71 | ||
HC4 | A | 1T19 | 0.71 | ||
HC4 | X | 1UWN | 0.71 | ||
HC4 | A,B,C,D,E,F, G,H | 2O7F | 0.71 | ||
HC4 | A | 1UGU | 0.71 | ||
HC4 | A | 1TS8 | 0.71 | ||
HC4 | A,B | 1OTD | 0.71 | ||
HC4 | A | 1OTE | 0.71 | ||
HC4 | A | 1GSX | 0.71 | ||
HC4 | A | 1TS7 | 0.71 | ||
HC4 | A | 2PYR | 0.71 | ||
HC4 | A | 1S4S | 0.71 | ||
HC4 | A | 1GSV | 0.71 | ||
HC4 | A | 2I9V | 0.71 | ||
HC4 | A | 2QWS | 0.71 | ||
HC4 | A | 1XFN | 0.71 | ||
HC4 | A | 1S4R | 0.71 | ||
HC4 | A | 1T18 | 0.71 | ||
HC4 | A | 1OTA | 0.71 | ||
HC4 | A | 1D7E | 0.71 | ||
HC4 | A | 1S1Z | 0.71 | ||
HC4 | A,B,C | 1MZU | 0.71 | ||
HC4 | A,B | 1ODV | 0.71 | ||
HC4 | A,B | 2J3J | 0.71 | ||
HC4 | A | 2QJ5 | 0.71 | ||
HC4 | A | 1OTB | 0.71 | ||
HC4 | A | 2D02 | 0.71 | ||
HC4 | A | 1OT9 | 0.71 | ||
HC4 | A | 1NWZ | 0.71 | ||
HC4 | A | 1S1Y | 0.71 | ||
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 | 0.79 | |
2HC | (2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID | A,B | 1V5Z | 0.73 | |
NAF | M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2- TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE | A | 1AMN | 0.71 | |
NAF | M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2- TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE | A,B | 2H9Y | 0.71 | |
Y13 | (2E)-3-(3,4-DIHYDROXYPHENYL)-N- [2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE | A | 2EW6 | 0.71 | |
PZM | 1-(4-METHOXYPHENYL)METHANAMINE | A,D,H | 2HJB | 0.74 | |
SGI | 3-(4-hydroxyphenyl)propanamide | A,B | 2R9K | 0.73 | |
HXS | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.73 | |
DHR | (2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILE | A,B | 1E55 | 0.71 | |
OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG2 | 0.76 | |
OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG1 | 0.76 | |
OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RH0 | 0.76 | |
OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGU | 0.76 | |
OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGT | 0.76 | |
247 | (3R)-3-amino-2,2-difluoro-3-(4- hydroxyphenyl)propanoic acid | A,B | 2QVE | 0.73 | |
TYC | L-TYROSINAMIDE | A | 2BF9 | 0.72 | |
TYC | L-TYROSINAMIDE | A | 2OCI | 0.72 | |
DMC | 3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)- 2-METHYL-PROPIONIC ACID | G | 4GCH | 0.77 | |
BHQ | 2,5-DITERT-BUTYLBENZENE-1,4-DIOL | A,B | 2AGV | 0.72 | |
3QC | (4R)-4-(3-HYDROXYPHENYL)-N,N,7,8- TETRAMETHYL-3,4-DIHYDROISOQUINOLINE- 2(1H)-CARBOXAMIDE | A,B | 2FME | 0.75 | |
D4P | (2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID | A | 1DSR | 0.73 | |
D4P | (2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID | A,B,C,D,E,F, G,H | 1W7R | 0.73 | |
D4P | (2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 1W7Q | 0.73 | |
OTR | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGT | 0.76 | |
OTR | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG2 | 0.76 | |
OTR | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 2AN4 | 0.76 | |
LNR | L-NOREPINEPHRINE | A,B | 2QEO | 0.7 | |
LNR | L-NOREPINEPHRINE | A | 3DYE | 0.7 | |
LNR | L-NOREPINEPHRINE | A | 4PAH | 0.7 | |
SHA | SALICYLHYDROXAMIC ACID | X | 1V0H | 0.71 | |
SHA | SALICYLHYDROXAMIC ACID | A | 2QPK | 0.71 | |
SHA | SALICYLHYDROXAMIC ACID | A | 3FNL | 0.71 | |
SHA | SALICYLHYDROXAMIC ACID | A | 3GCJ | 0.71 | |
SHA | SALICYLHYDROXAMIC ACID | A | 1CK6 | 0.71 | |
CRS | M-CRESOL | A,B,C,D | 1EV3 | 0.76 | |
CRS | M-CRESOL | A,B,C,D,E,F | 2OMG | 0.76 | |
CRS | M-CRESOL | A,B | 1UZ9 | 0.76 | |
CRS | M-CRESOL | A,B,C,D | 1ZEH | 0.76 | |
CRS | M-CRESOL | A,B,C,D,E,F | 1ZEI | 0.76 | |
CRS | M-CRESOL | A,C,D,E | 7INS | 0.76 | |
CRS | M-CRESOL | A,B,C,D,E,G, I,K | 1EV6 | 0.76 | |
PFL | 2,6-BIS(1-METHYLETHYL)PHENOL | A,B | 1E7A | 0.77 | |
MA0 | (1R)-6-HYDROXY-N-METHYL-N-[(1Z)- PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM | A,B | 2C64 | 0.81 |