Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03246468
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 |
B28![]() | A,B | 2E9A | 0.73 | ![]() | |
NDH![]() | (1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE | A,B | 1O7P | 0.75 | ![]() |
COR![]() | 2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANE | A | 9HVP | 0.75 | ![]() |
FLP![]() | FLURBIPROFEN | A,B,C,D | 3PGH | 0.7 | ![]() |
FLP![]() | FLURBIPROFEN | A,B | 1CQE | 0.7 | ![]() |
FLP![]() | FLURBIPROFEN | A,B | 1EQH | 0.7 | ![]() |
FLP![]() | FLURBIPROFEN | A,B | 2AYL | 0.7 | ![]() |
FLP![]() | FLURBIPROFEN | A | 1DVT | 0.7 | ![]() |
FLP![]() | FLURBIPROFEN | A | 1R9O | 0.7 | ![]() |
4FA![]() | 4-FLUOROPHENETHYL ALCOHOL | A | 1OWZ | 0.79 | ![]() |
2HS![]() | HEXYLPHOSPHONIC ACID (S)-2-METHYL- 3-PHENYLPROPYL ESTER | X | 1YS2 | 0.77 | ![]() |
IOB![]() | 3-IODO-BENZYL ALCOHOL | A,B | 1QK0 | 0.71 | ![]() |
2HR![]() | HEXYLPHOSPHONIC ACID (R)-2-METHYL- 3-PHENYLPROPYL ESTER | X | 1YS1 | 0.77 | ![]() |
BPA![]() | 7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENE | A | 1JDG | 0.7 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A | 1OS0 | 0.73 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJI | 0.73 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJJ | 0.73 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 2VS2 | 0.73 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 1OD1 | 0.73 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | E | 1EPR | 0.73 | ![]() |
1OH![]() | 4-(1-methyl-1-phenylethyl)phenol | A | 2ZAS | 0.76 | ![]() |
24B![]() | (2,4-DIFLUOROPHENYL)METHANOL | A,B | 1QV6 | 0.7 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1BXG | 0.7 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1TOG | 0.7 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1V2F | 0.7 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1AHX | 0.7 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A | 1TOI | 0.7 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1AY8 | 0.7 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A | 1TOJ | 0.7 | ![]() |
1PB![]() | 1,4-DIPHENYL-2-BUTENE | A,B | 1OJ9 | 0.71 | ![]() |
ARL![]() | 7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA- 2,4,6-TRIENOIC ACID | A | 1NQ7 | 0.71 | ![]() |
BAP![]() | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1AXV | 0.7 | ![]() |
BAP![]() | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A,E | 2IBK | 0.7 | ![]() |
BAP![]() | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A,B,C,D,E,F | 2IA6 | 0.7 | ![]() |
BAP![]() | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1Y9H | 0.7 | ![]() |
BAP![]() | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1FYY | 0.7 | ![]() |
BAP![]() | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1AXO | 0.7 | ![]() |
BAP![]() | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1DXA | 0.7 | ![]() |
BAP![]() | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1AXL | 0.7 | ![]() |
BAP![]() | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A,B,D,E,F | 1S0M | 0.7 | ![]() |
BAP![]() | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1BPS | 0.7 | ![]() |
BAP![]() | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A,C | 1XC9 | 0.7 | ![]() |
B08![]() | A,B | 2E99 | 0.74 | ![]() | |
PS0![]() | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | A,B,I | 1ZSR | 0.73 | ![]() |
PS0![]() | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1ZJ7 | 0.73 | ![]() |
PS0![]() | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1ZLF | 0.73 | ![]() |
PS0![]() | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1HEG | 0.73 | ![]() |
PS0![]() | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1FQX | 0.73 | ![]() |
PS0![]() | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | A,B,I | 1IIQ | 0.73 | ![]() |
PS0![]() | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1HEF | 0.73 | ![]() |
BPZ![]() | 4,4'-cyclohexane-1,1-diyldiphenol | A | 2ZKC | 0.74 | ![]() |
LJ1![]() | 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol | A,B | 3CN0 | 0.71 | ![]() |
BDB![]() | A,B | 1KE3 | 0.72 | ![]() | |
689![]() | 4-[(1S,2S,5S)-5-(HYDROXYMETHYL)- 6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON- 7-EN-2-YL]PHENOL | A,B | 1ZKY | 0.71 | ![]() |
459![]() | 4-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)- 8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON- 7-EN-2-YL]PHENOL | A,B | 2FAI | 0.72 | ![]() |
GRO![]() | R-2-PHENYL-PROPRIONIC ACID | B | 1K5S | 0.72 | ![]() |
GRO![]() | R-2-PHENYL-PROPRIONIC ACID | B | 1KEC | 0.72 | ![]() |
GRO![]() | R-2-PHENYL-PROPRIONIC ACID | B | 1K7D | 0.72 | ![]() |
DRQ![]() | (9ALPHA,13BETA,17BETA)-2-[(1Z)- BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE- 3,17-DIOL | A,B | 2G5O | 0.72 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | A,B | 1I0D | 0.81 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | D,H | 2I0T | 0.81 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | A,B | 1HZY | 0.81 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | A,B | 1I0B | 0.81 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | A | 1EYW | 0.81 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | A,B | 1JGM | 0.81 | ![]() |
EED![]() | (9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)- 11-(METHOXYMETHYL)ESTRA-1(10),2,4- TRIENE-3,17-DIOL | A,B | 2QGT | 0.72 | ![]() |
EST![]() | ESTRADIOL | A,B | 1GWR | 0.75 | ![]() |
EST![]() | ESTRADIOL | A | 1FDS | 0.75 | ![]() |
EST![]() | ESTRADIOL | A,B,C | 1G50 | 0.75 | ![]() |
EST![]() | ESTRADIOL | A,B,C,D,E,F | 1ERE | 0.75 | ![]() |
EST![]() | ESTRADIOL | A,B | 1A52 | 0.75 | ![]() |
EST![]() | ESTRADIOL | A | 1FDT | 0.75 | ![]() |
EST![]() | ESTRADIOL | A | 2OCF | 0.75 | ![]() |
EST![]() | ESTRADIOL | A,B,C | 1QKU | 0.75 | ![]() |
EST![]() | ESTRADIOL | A,B,C,D,L | 1E6W | 0.75 | ![]() |
EST![]() | ESTRADIOL | A | 1IOL | 0.75 | ![]() |
EST![]() | ESTRADIOL | H | 1JNN | 0.75 | ![]() |
EST![]() | ESTRADIOL | B | 1QKT | 0.75 | ![]() |
EST![]() | ESTRADIOL | A | 1FDW | 0.75 | ![]() |
EST![]() | ESTRADIOL | A,B | 1AQU | 0.75 | ![]() |
EST![]() | ESTRADIOL | A | 1LHU | 0.75 | ![]() |
EST![]() | ESTRADIOL | A | 1A27 | 0.75 | ![]() |
EST![]() | ESTRADIOL | L | 1JGL | 0.75 | ![]() |
EST![]() | ESTRADIOL | A,B,E,F | 1PCG | 0.75 | ![]() |
EST![]() | ESTRADIOL | A,B,C,D | 1FDU | 0.75 | ![]() |
EST![]() | ESTRADIOL | A | 2J7X | 0.75 | ![]() |
EST![]() | ESTRADIOL | A,B | 2D06 | 0.75 | ![]() |
IBP![]() | IBUPROFEN | A | 3FKX | 0.72 | ![]() |
IBP![]() | IBUPROFEN | A,B | 2BXG | 0.72 | ![]() |
IBP![]() | IBUPROFEN | A,B | 1EQG | 0.72 | ![]() |
IBP![]() | IBUPROFEN | A,B,C | 2WD9 | 0.72 | ![]() |
IBP![]() | IBUPROFEN | A | 2PWS | 0.72 | ![]() |
PR0![]() | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1ZSF | 0.73 | ![]() |
PR0![]() | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A | 1JLD | 0.73 | ![]() |
PR0![]() | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B | 1IDA | 0.73 | ![]() |
PR0![]() | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B | 1IDB | 0.73 | ![]() |
PR0![]() | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1Z8C | 0.73 | ![]() |
PR0![]() | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1ZBG | 0.73 | ![]() |
PR0![]() | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1ZPK | 0.73 | ![]() |
RSO![]() | R-STYRENE OXIDE | A,B | 1PWZ | 0.7 | ![]() |
SS2![]() | (1R)-1-PHENYLETHANOL | A | 1ZK0 | 0.8 | ![]() |
SS2![]() | (1R)-1-PHENYLETHANOL | A | 1ZJZ | 0.8 | ![]() |
SS2![]() | (1R)-1-PHENYLETHANOL | A | 1ZJY | 0.8 | ![]() |
2OH![]() | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2E2R | 0.75 | ![]() |
2OH![]() | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2P7G | 0.75 | ![]() |
269![]() | (1R)-3-chloro-1-phenylpropan-1- ol | A | 2RBS | 0.73 | ![]() |
PHL![]() | L-PHENYLALANINOL | A,B | 1JOH | 0.7 | ![]() |
PHL![]() | L-PHENYLALANINOL | I | 3APR | 0.7 | ![]() |
PHL![]() | L-PHENYLALANINOL | A | 1DLZ | 0.7 | ![]() |
PHL![]() | L-PHENYLALANINOL | A | 1IH9 | 0.7 | ![]() |
PHL![]() | L-PHENYLALANINOL | A | 1OB4 | 0.7 | ![]() |
PHL![]() | L-PHENYLALANINOL | I | 2ER6 | 0.7 | ![]() |
PHL![]() | L-PHENYLALANINOL | A | 1R9U | 0.7 | ![]() |
PHL![]() | L-PHENYLALANINOL | A | 1OB7 | 0.7 | ![]() |
PHL![]() | L-PHENYLALANINOL | A,B | 1OB6 | 0.7 | ![]() |
PHL![]() | L-PHENYLALANINOL | A,B,C | 1AMT | 0.7 | ![]() |
AN1![]() | 3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID | H,Y | 1LO3 | 0.7 | ![]() |
PPP![]() | 3-PHENYL-1,2-PROPANDIOL | A,B | 1HRN | 0.81 | ![]() |
PPT![]() | 3-(P-TOLYL)PROPIONIC ACID | A,B | 2AY4 | 0.71 | ![]() |
PFL![]() | 2,6-BIS(1-METHYLETHYL)PHENOL | A,B | 1E7A | 0.73 | ![]() |
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 | ![]() |
OPH![]() | 2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER | E,I | 1PPM | 0.7 | ![]() |
OPH![]() | 2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER | E,I | 1PPL | 0.7 | ![]() |
2NA![]() | naphthalen-2-ylmethanol | A,B,C | 3EE5 | 0.76 | ![]() |
5PV![]() | 5-PHENYLVALERIC ACID | A,B | 2AY9 | 0.71 | ![]() |
PDH![]() | (2S)-2-AMINO-3-PHENYL-1-PROPANOL | A | 1GQ0 | 0.7 | ![]() |
I4B![]() | ISOBUTYLBENZENE | A | 184L | 0.71 | ![]() |
MXN![]() | (2R)-hydroxy(phenyl)ethanenitrile | A,B | 3GDN | 0.73 | ![]() |
R13![]() | 3-METHYL-7-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL) -OCTA-2,4,6-TRIENOIC ACID | A | 2CBS | 0.71 | ![]() |
TBT![]() | 8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE- 8,9,10-TRIOL | A | 1DJD | 0.71 | ![]() |
HFA![]() | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | 0,1,3,4,5,9, A,B,C,H,J,K, L,M,N,O,Q,R, S,T,U,Y,Z | 1VQ6 | 0.71 | ![]() |
HFA![]() | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | A,B | 1C1X | 0.71 | ![]() |
HFA![]() | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | 0,1,3,4,9,A, B,C,D,F,H,J, K,L,M,N,O,Q, R,S,T,U,Y,Z | 1VQP | 0.71 | ![]() |
HFA![]() | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | 0,1,2,3,4,5, 9,A,B,C,D,F, H,J,K,L,M,N, O,Q,R,S,T,U, Y,Z | 1VQN | 0.71 | ![]() |
HFA![]() | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1QRP | 0.71 | ![]() |
HFA![]() | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | A | 2CTC | 0.71 | ![]() |
HFA![]() | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1E82 | 0.71 | ![]() |
HFA![]() | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1E81 | 0.71 | ![]() |
BZA![]() | 1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1DL4 | 0.71 | ![]() |
BZA![]() | 1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1I7V | 0.71 | ![]() |
BZA![]() | 1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1QBY | 0.71 | ![]() |
BFL![]() | A,B | 1Q4G | 0.73 | ![]() | |
ECS![]() | 2,3,17BETA-TRIHYDROXY-1,3,5(10)- ESTRATRIENE | A,B,C,D | 2BW7 | 0.7 | ![]() |
BPJ![]() | (1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A | 2ROU | 0.71 | ![]() |
BPJ![]() | (1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A | 1HX4 | 0.71 | ![]() |
DFA![]() | DIPHENYLACETIC ACID | A,B,C | 1GMY | 0.72 | ![]() |
IPB![]() | 5-METHYL-2-(1-METHYLETHYL)PHENOL | A,B | 1E06 | 0.71 | ![]() |
BZS![]() | L-BENZYLSUCCINIC ACID | A | 1CBX | 0.7 | ![]() |
BZS![]() | L-BENZYLSUCCINIC ACID | A | 1HYT | 0.7 | ![]() |
BZS![]() | L-BENZYLSUCCINIC ACID | A,B | 1WHT | 0.7 | ![]() |
EYK![]() | 2-tert-butylbenzene-1,4-diol | D,F | 3EYM | 0.71 | ![]() |
EYK![]() | 2-tert-butylbenzene-1,4-diol | B | 3EYK | 0.71 | ![]() |
L79![]() | (S)-(2E)-3[4-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-2-NAPHTHALENYL)TETRAHYDRO- 1-BENZOFURAN-2-YL]-2-PROPENOIC ACID | A,D | 1RDT | 0.72 | ![]() |
BPI![]() | (1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A,P,T | 2I9G | 0.71 | ![]() |
BPI![]() | (1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A | 1HWV | 0.71 | ![]() |
DFB![]() | 2,3-DIFLUOROBENZYL ALCOHOL | A,B | 1QV7 | 0.7 | ![]() |
DFB![]() | 2,3-DIFLUOROBENZYL ALCOHOL | A,B,C,D | 1MG0 | 0.7 | ![]() |
BZR![]() | 1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1MXJ | 0.71 | ![]() |
HXS![]() | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.75 | ![]() |
SS1![]() | 1-PHENYLETHANOL | H | 1UM5 | 0.8 | ![]() |
12M![]() | (2-ETHYLPHENYL)METHANOL | A,B | 2F62 | 0.78 | ![]() |
CLT![]() | 4-PHENYL-BUTANOIC ACID | A | 1THL | 0.71 | ![]() |
CLT![]() | 4-PHENYL-BUTANOIC ACID | A,B | 2AY7 | 0.71 | ![]() |
CLT![]() | 4-PHENYL-BUTANOIC ACID | E,I | 1TMN | 0.71 | ![]() |
TBC![]() | (9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE | A | 1N8C | 0.78 | ![]() |
E3O![]() | (16ALPHA,17ALPHA)-ESTRA-1,3,5(10)- TRIENE-3,16,17-TRIOL | A | 2J7Y | 0.72 | ![]() |
EPT![]() | HEPTANYL-P-PHENOL | A,B | 1AHZ | 0.71 | ![]() |
MNN![]() | (S)-MANDELIC ACID NITRILE | A | 1YB6 | 0.73 | ![]() |
ESL![]() | ESTRIOL | A | 1X8V | 0.72 | ![]() |