Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02314186
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 |
TTL | TRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN- 1-OL | A,B | 2AN5 | 0.72 | |
555 | 4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIME | A,B | 2NV7 | 0.74 | |
4HL | 4-(HYDRAZINOMETHYL)PHENOL | A,B | 2E2U | 0.74 | |
OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG2 | 0.73 | |
OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG1 | 0.73 | |
OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RH0 | 0.73 | |
OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGU | 0.73 | |
OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGT | 0.73 | |
ALE | L-EPINEPHRINE | A | 3PAH | 0.74 | |
ALE | L-EPINEPHRINE | A | 2HKK | 0.74 | |
IPB | 5-METHYL-2-(1-METHYLETHYL)PHENOL | A,B | 1E06 | 0.73 | |
DIN | 1,6-DIHYDROXY NAPHTHALENE | A | 1ZB6 | 0.78 | |
SAF | 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL | A | 1GQR | 0.82 | |
SAF | 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL | A | 1GQS | 0.82 | |
TOL | TOLRESTAT | A | 2PDL | 0.74 | |
TOL | TOLRESTAT | A | 2FZD | 0.74 | |
TOL | TOLRESTAT | A | 2FZB | 0.74 | |
TOL | TOLRESTAT | A | 1AH3 | 0.74 | |
TOL | TOLRESTAT | X | 1ZUA | 0.74 | |
TOL | TOLRESTAT | A | 1AE4 | 0.74 | |
BPY | BIPHENYL-2,3-DIOL | A | 1KMY | 0.72 | |
BPY | BIPHENYL-2,3-DIOL | B | 1KW8 | 0.72 | |
BPY | BIPHENYL-2,3-DIOL | A | 2EI3 | 0.72 | |
BPY | BIPHENYL-2,3-DIOL | A | 1EIR | 0.72 | |
BPY | BIPHENYL-2,3-DIOL | B | 1KW6 | 0.72 | |
BPY | BIPHENYL-2,3-DIOL | B | 1KWC | 0.72 | |
BPY | BIPHENYL-2,3-DIOL | B | 1KW9 | 0.72 | |
IFA | A,B | 3FC8 | 0.71 | ||
3QC | (4R)-4-(3-HYDROXYPHENYL)-N,N,7,8- TETRAMETHYL-3,4-DIHYDROISOQUINOLINE- 2(1H)-CARBOXAMIDE | A,B | 2FME | 0.76 | |
BPZ | 4,4'-cyclohexane-1,1-diyldiphenol | A | 2ZKC | 0.7 | |
OTR | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGT | 0.73 | |
OTR | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG2 | 0.73 | |
OTR | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 2AN4 | 0.73 | |
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 | |
ANF | ANTHRONE | H | 2BJM | 0.77 | |
ETC | (R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL | A,B | 1L2I | 0.73 | |
ETC | (R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL | A,B | 1L2J | 0.73 | |
PFL | 2,6-BIS(1-METHYLETHYL)PHENOL | A,B | 1E7A | 0.71 | |
CTL | CIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN- 1-OL | A,B | 2AN3 | 0.72 | |
1NP | 1-NAPHTHOL | X | 2ZVQ | 0.79 | |
TN1 | 5,6,7,8-TETRAHYDRONAPHTHALEN-1- OL | A | 1YSG | 0.77 | |
SLX | (13aS)-3,10-dimethoxy-5,8,13,13a- tetrahydro-6H-isoquino[3,2-a]isoquinoline- 2,9-diol | A | 3FW9 | 0.71 | |
Y13 | (2E)-3-(3,4-DIHYDROXYPHENYL)-N- [2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE | A | 2EW6 | 0.74 | |
108 | 2-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)- PROPIONIC ACID | A | 1G3B | 0.73 | |
108 | 2-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)- PROPIONIC ACID | A | 1G3D | 0.73 | |
AED | 4-(2-aminoethyl)-2-cyclohexylphenol | A | 3BUH | 0.82 | |
2MP | 3,4-DIMETHYLPHENOL | A | 1L5O | 0.73 | |
BP7 | 1,1'-BIPHENYL-3,4-DIOL | A | 2EI0 | 0.72 | |
LNR | L-NOREPINEPHRINE | A,B | 2QEO | 0.71 | |
LNR | L-NOREPINEPHRINE | A | 3DYE | 0.71 | |
LNR | L-NOREPINEPHRINE | A | 4PAH | 0.71 | |
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 | |
D1N | NAPHTHALENE-1,2-DIOL | A | 2EI1 | 0.76 | |
196 | 3-(3-FLUORO-4-HYDROXYPHENYL)-7- HYDROXY-1-NAPHTHONITRILE | A,B | 1YYE | 0.74 | |
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 | |
226 | naphthalene-1,2,4,5,7-pentol | A,B | 2NZ5 | 0.7 | |
LJ1 | 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol | A,B | 3CN0 | 0.73 | |
LYL | 2-ALLYL-6-METHYL-PHENOL | A | 1OV7 | 0.71 | |
DES | DIETHYLSTILBESTROL | A,B,C,D | 1S9P | 0.71 | |
DES | DIETHYLSTILBESTROL | A,B | 3ERD | 0.71 | |
DES | DIETHYLSTILBESTROL | A,B | 1TT6 | 0.71 | |
DES | DIETHYLSTILBESTROL | A,B,C,D | 1TZ8 | 0.71 | |
AEH | 4-(2-aminoethyl)-2-ethylphenol | A | 3BUG | 0.82 | |
RHP | (3R)-3-(PROP-2-YNYLAMINO)INDAN- 5-OL | A,B | 1S3E | 0.81 | |
A48 | 4-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOL | A,B | 2Q6J | 0.71 | |
247 | (3R)-3-amino-2,2-difluoro-3-(4- hydroxyphenyl)propanoic acid | A,B | 2QVE | 0.7 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2E2R | 0.73 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2P7G | 0.73 | |
LDP | L-DOPAMINE | A,B | 2A3R | 0.76 | |
LDP | L-DOPAMINE | A | 5PAH | 0.76 | |
LDP | L-DOPAMINE | A,B | 2QMZ | 0.76 | |
LDP | L-DOPAMINE | A,B | 2VQ5 | 0.76 | |
REN | (S)-reticuline | A | 3FWA | 0.71 | |
REN | (S)-reticuline | A | 3D2D | 0.71 | |
1OH | 4-(1-methyl-1-phenylethyl)phenol | A | 2ZAS | 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 | 0.74 | |
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 | |
HXS | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.73 | |
RM2 | 4-HYDROXY-N-PROPARGYL-1(R)-AMINOINDAN | A,B | 2C66 | 0.73 | |
AEG | 4-[(2R)-2-aminopropyl]phenol | A | 3BUF | 0.78 | |
PZM | 1-(4-METHOXYPHENYL)METHANAMINE | A,D,H | 2HJB | 0.7 | |
IFB | N-[(2',4'-DIFLUORO-4-HYDROXY-5- IODOBIPHENYL-3-YL)CARBONYL]-BETA- ALANINE | A,B | 3FCB | 0.71 | |
17M | 17-METHYL-17-ALPHA-DIHYDROEQUILENIN | A,B | 2B1Z | 0.73 | |
EYK | 2-tert-butylbenzene-1,4-diol | D,F | 3EYM | 0.71 | |
EYK | 2-tert-butylbenzene-1,4-diol | B | 3EYK | 0.71 | |
XX6 | 2-{[(2R)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE- 1,3-DIOL | A | 2V3I | 0.71 | |
XX7 | 2-{[(2S)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE- 1,3-DIOL | A | 2V3R | 0.71 | |
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 | 0.7 | |
GHP | 4-HYDROXYPHENYLGLYCINE | A | 1DSR | 0.71 | |
AEF | 4-(2-aminoethyl)phenol | A | 3BRA | 0.78 | |
HV7 | 1-METHYLAMINE-2-HYDROXY-4-METHOXY- BENZENE | C | 1A8G | 0.72 | |
SNP | 1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)- 2-PROPANOL | A | 1DY4 | 0.72 | |
MA0 | (1R)-6-HYDROXY-N-METHYL-N-[(1Z)- PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM | A,B | 2C64 | 0.76 | |
NBF | [(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID | A | 1NY0 | 0.74 | |
NBF | [(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID | A,B | 1YMS | 0.74 | |
AHT | 4-(2,5-DIAMINO-5-HYDROXY-PENTYL)- PHENOL | I,T | 1TMB | 0.73 | |
EPT | HEPTANYL-P-PHENOL | A,B | 1AHZ | 0.71 | |
LZ2 | 5-hydroxynaphthalene-1-sulfonamide | A | 2VTH | 0.72 |