Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02216027
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 |
BPJ![]() | (1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A | 2ROU | 0.75 | ![]() |
BPJ![]() | (1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A | 1HX4 | 0.75 | ![]() |
2MP![]() | 3,4-DIMETHYLPHENOL | A | 1L5O | 0.72 | ![]() |
RSO![]() | R-STYRENE OXIDE | A,B | 1PWZ | 0.74 | ![]() |
SMN![]() | (S)-MANDELIC ACID | A | 1MDL | 0.72 | ![]() |
BZA![]() | 1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1DL4 | 0.75 | ![]() |
BZA![]() | 1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1I7V | 0.75 | ![]() |
BZA![]() | 1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1QBY | 0.75 | ![]() |
MNN![]() | (S)-MANDELIC ACID NITRILE | A | 1YB6 | 0.79 | ![]() |
TN1![]() | 5,6,7,8-TETRAHYDRONAPHTHALEN-1- OL | A | 1YSG | 0.74 | ![]() |
4FA![]() | 4-FLUOROPHENETHYL ALCOHOL | A | 1OWZ | 0.81 | ![]() |
BPZ![]() | 4,4'-cyclohexane-1,1-diyldiphenol | A | 2ZKC | 0.72 | ![]() |
ETY![]() | 4-ethylphenol | A,B,C,D | 2RA6 | 0.71 | ![]() |
BPI![]() | (1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A,P,T | 2I9G | 0.75 | ![]() |
BPI![]() | (1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A | 1HWV | 0.75 | ![]() |
BZR![]() | 1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1MXJ | 0.75 | ![]() |
EPT![]() | HEPTANYL-P-PHENOL | A,B | 1AHZ | 0.73 | ![]() |
BAP![]() | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1AXV | 0.74 | ![]() |
BAP![]() | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A,E | 2IBK | 0.74 | ![]() |
BAP![]() | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A,B,C,D,E,F | 2IA6 | 0.74 | ![]() |
BAP![]() | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1Y9H | 0.74 | ![]() |
BAP![]() | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1FYY | 0.74 | ![]() |
BAP![]() | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1AXO | 0.74 | ![]() |
BAP![]() | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1DXA | 0.74 | ![]() |
BAP![]() | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1AXL | 0.74 | ![]() |
BAP![]() | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A,B,D,E,F | 1S0M | 0.74 | ![]() |
BAP![]() | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1BPS | 0.74 | ![]() |
BAP![]() | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A,C | 1XC9 | 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 | ![]() |
EED![]() | (9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)- 11-(METHOXYMETHYL)ESTRA-1(10),2,4- TRIENE-3,17-DIOL | A,B | 2QGT | 0.74 | ![]() |
DFB![]() | 2,3-DIFLUOROBENZYL ALCOHOL | A,B | 1QV7 | 0.82 | ![]() |
DFB![]() | 2,3-DIFLUOROBENZYL ALCOHOL | A,B,C,D | 1MG0 | 0.82 | ![]() |
DRQ![]() | (9ALPHA,13BETA,17BETA)-2-[(1Z)- BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE- 3,17-DIOL | A,B | 2G5O | 0.74 | ![]() |
PPP![]() | 3-PHENYL-1,2-PROPANDIOL | A,B | 1HRN | 0.77 | ![]() |
FFD![]() | (1R)-1,4-anhydro-2-deoxy-1-(3-fluorophenyl)- 5-O-phosphono-D-erythro-pentitol | A,B,C,D,E,F, G,H,I,J,K,L | 2PIS | 0.72 | ![]() |
ANF![]() | ANTHRONE | H | 2BJM | 0.72 | ![]() |
CTL![]() | CIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN- 1-OL | A,B | 2AN3 | 0.75 | ![]() |
BPA![]() | 7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENE | A | 1JDG | 0.74 | ![]() |
DES![]() | DIETHYLSTILBESTROL | A,B,C,D | 1S9P | 0.73 | ![]() |
DES![]() | DIETHYLSTILBESTROL | A,B | 3ERD | 0.73 | ![]() |
DES![]() | DIETHYLSTILBESTROL | A,B | 1TT6 | 0.73 | ![]() |
DES![]() | DIETHYLSTILBESTROL | A,B,C,D | 1TZ8 | 0.73 | ![]() |
SS1![]() | 1-PHENYLETHANOL | H | 1UM5 | 0.84 | ![]() |
LYL![]() | 2-ALLYL-6-METHYL-PHENOL | A | 1OV7 | 0.73 | ![]() |
MXN![]() | (2R)-hydroxy(phenyl)ethanenitrile | A,B | 3GDN | 0.79 | ![]() |
EZT![]() | (17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA- 1(10),2,4-TRIENE-3,17-DIOL | A,B | 2P15 | 0.72 | ![]() |
BP7![]() | 1,1'-BIPHENYL-3,4-DIOL | A | 2EI0 | 0.72 | ![]() |
BRB![]() | PARA-BROMOBENZYL ALCOHOL | A,B | 1HLD | 0.71 | ![]() |
IPB![]() | 5-METHYL-2-(1-METHYLETHYL)PHENOL | A,B | 1E06 | 0.72 | ![]() |
BGG![]() | CARBONIC ACID MONOBENZYL ESTER | B,D | 1DLK | 0.7 | ![]() |
TBT![]() | 8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE- 8,9,10-TRIOL | A | 1DJD | 0.75 | ![]() |
269![]() | (1R)-3-chloro-1-phenylpropan-1- ol | A | 2RBS | 0.79 | ![]() |
TTL![]() | TRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN- 1-OL | A,B | 2AN5 | 0.75 | ![]() |
2LP![]() | 2-ALLYLPHENOL | A | 1OV5 | 0.73 | ![]() |
LJ1![]() | 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol | A,B | 3CN0 | 0.73 | ![]() |
1OH![]() | 4-(1-methyl-1-phenylethyl)phenol | A | 2ZAS | 0.75 | ![]() |
IOB![]() | 3-IODO-BENZYL ALCOHOL | A,B | 1QK0 | 0.77 | ![]() |
1NP![]() | 1-NAPHTHOL | X | 2ZVQ | 0.74 | ![]() |
PFL![]() | 2,6-BIS(1-METHYLETHYL)PHENOL | A,B | 1E7A | 0.73 | ![]() |
DIN![]() | 1,6-DIHYDROXY NAPHTHALENE | A | 1ZB6 | 0.71 | ![]() |
17M![]() | 17-METHYL-17-ALPHA-DIHYDROEQUILENIN | A,B | 2B1Z | 0.7 | ![]() |
12M![]() | (2-ETHYLPHENYL)METHANOL | A,B | 2F62 | 0.84 | ![]() |
EST![]() | ESTRADIOL | A,B | 1GWR | 0.76 | ![]() |
EST![]() | ESTRADIOL | A | 1FDS | 0.76 | ![]() |
EST![]() | ESTRADIOL | A,B,C | 1G50 | 0.76 | ![]() |
EST![]() | ESTRADIOL | A,B,C,D,E,F | 1ERE | 0.76 | ![]() |
EST![]() | ESTRADIOL | A,B | 1A52 | 0.76 | ![]() |
EST![]() | ESTRADIOL | A | 1FDT | 0.76 | ![]() |
EST![]() | ESTRADIOL | A | 2OCF | 0.76 | ![]() |
EST![]() | ESTRADIOL | A,B,C | 1QKU | 0.76 | ![]() |
EST![]() | ESTRADIOL | A,B,C,D,L | 1E6W | 0.76 | ![]() |
EST![]() | ESTRADIOL | A | 1IOL | 0.76 | ![]() |
EST![]() | ESTRADIOL | H | 1JNN | 0.76 | ![]() |
EST![]() | ESTRADIOL | B | 1QKT | 0.76 | ![]() |
EST![]() | ESTRADIOL | A | 1FDW | 0.76 | ![]() |
EST![]() | ESTRADIOL | A,B | 1AQU | 0.76 | ![]() |
EST![]() | ESTRADIOL | A | 1LHU | 0.76 | ![]() |
EST![]() | ESTRADIOL | A | 1A27 | 0.76 | ![]() |
EST![]() | ESTRADIOL | L | 1JGL | 0.76 | ![]() |
EST![]() | ESTRADIOL | A,B,E,F | 1PCG | 0.76 | ![]() |
EST![]() | ESTRADIOL | A,B,C,D | 1FDU | 0.76 | ![]() |
EST![]() | ESTRADIOL | A | 2J7X | 0.76 | ![]() |
EST![]() | ESTRADIOL | A,B | 2D06 | 0.76 | ![]() |
FLP![]() | FLURBIPROFEN | A,B,C,D | 3PGH | 0.71 | ![]() |
FLP![]() | FLURBIPROFEN | A,B | 1CQE | 0.71 | ![]() |
FLP![]() | FLURBIPROFEN | A,B | 1EQH | 0.71 | ![]() |
FLP![]() | FLURBIPROFEN | A,B | 2AYL | 0.71 | ![]() |
FLP![]() | FLURBIPROFEN | A | 1DVT | 0.71 | ![]() |
FLP![]() | FLURBIPROFEN | A | 1R9O | 0.71 | ![]() |
FBC![]() | A,B | 2B9A | 0.72 | ![]() | |
2OH![]() | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2E2R | 0.74 | ![]() |
2OH![]() | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2P7G | 0.74 | ![]() |
24B![]() | (2,4-DIFLUOROPHENYL)METHANOL | A,B | 1QV6 | 0.82 | ![]() |
E3O![]() | (16ALPHA,17ALPHA)-ESTRA-1,3,5(10)- TRIENE-3,16,17-TRIOL | A | 2J7Y | 0.74 | ![]() |
ENM![]() | (5S,8R,9S,10S,13R,14S,17S)-13-{2- [(3,5-DIFLUOROBENZYL)OXY]ETHYL}- 17-HYDROXY-10-METHYLHEXADECAHYDRO- 3H-CYCLOPENTA[A]PHENANTHREN-3-ONE | A | 2PNU | 0.71 | ![]() |
ESL![]() | ESTRIOL | A | 1X8V | 0.74 | ![]() |
NDH![]() | (1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE | A,B | 1O7P | 0.83 | ![]() |
TBC![]() | (9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE | A | 1N8C | 0.73 | ![]() |
RMN![]() | (R)-MANDELIC ACID | A | 1MDL | 0.72 | ![]() |
RMN![]() | (R)-MANDELIC ACID | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 1MCZ | 0.72 | ![]() |
I59![]() | HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID | A | 1O4G | 0.77 | ![]() |
OBZ![]() | O-benzylhydroxylamine | A,B | 3DTH | 0.73 | ![]() |
OBZ![]() | O-benzylhydroxylamine | A,B | 3DTG | 0.73 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | A,B | 1I0D | 0.77 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | D,H | 2I0T | 0.77 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | A,B | 1HZY | 0.77 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | A,B | 1I0B | 0.77 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | A | 1EYW | 0.77 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | A,B | 1JGM | 0.77 | ![]() |
SS2![]() | (1R)-1-PHENYLETHANOL | A | 1ZK0 | 0.84 | ![]() |
SS2![]() | (1R)-1-PHENYLETHANOL | A | 1ZJZ | 0.84 | ![]() |
SS2![]() | (1R)-1-PHENYLETHANOL | A | 1ZJY | 0.84 | ![]() |
4FC![]() | A | 1YSG | 0.73 | ![]() | |
PFB![]() | 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL | A,B | 1MGO | 0.73 | ![]() |
PFB![]() | 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL | A,B | 1HLD | 0.73 | ![]() |
295![]() | (2S,3S)-3-(4-fluorophenyl)-2,3- dihydroxypropanoic acid | A,B | 2RJR | 0.73 | ![]() |
HXS![]() | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.74 | ![]() |
TF5![]() | 2-[(2',3',4'-TRIFLUOROBIPHENYL- 2-YL)OXY]ETHANOL | A,B | 2OP3 | 0.71 | ![]() |
341![]() | (3,5-difluorophenyl)methanol | C | 3EON | 0.81 | ![]() |
ECS![]() | 2,3,17BETA-TRIHYDROXY-1,3,5(10)- ESTRATRIENE | A,B,C,D | 2BW7 | 0.72 | ![]() |
26C![]() | A,B | 2F7I | 0.72 | ![]() | |
2NA![]() | naphthalen-2-ylmethanol | A,B,C | 3EE5 | 0.83 | ![]() |