Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02287317
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 |
BPA | 7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENE | A | 1JDG | 0.72 | |
24B | (2,4-DIFLUOROPHENYL)METHANOL | A,B | 1QV6 | 0.75 | |
PHL | L-PHENYLALANINOL | A,B | 1JOH | 0.71 | |
PHL | L-PHENYLALANINOL | I | 3APR | 0.71 | |
PHL | L-PHENYLALANINOL | A | 1DLZ | 0.71 | |
PHL | L-PHENYLALANINOL | A | 1IH9 | 0.71 | |
PHL | L-PHENYLALANINOL | A | 1OB4 | 0.71 | |
PHL | L-PHENYLALANINOL | I | 2ER6 | 0.71 | |
PHL | L-PHENYLALANINOL | A | 1R9U | 0.71 | |
PHL | L-PHENYLALANINOL | A | 1OB7 | 0.71 | |
PHL | L-PHENYLALANINOL | A,B | 1OB6 | 0.71 | |
PHL | L-PHENYLALANINOL | A,B,C | 1AMT | 0.71 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZK0 | 0.79 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJZ | 0.79 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJY | 0.79 | |
PHQ | FORMIC ACID BENZYL ESTER | A,I | 2F4O | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KJO | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CDR | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C1E | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 5PAD | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | E,F | 1JXQ | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 2CNO | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 1CGL | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2AZ9 | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C2K | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | A,I | 2CNL | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KJP | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C2M | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2AZB | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 9HVP | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1ESB | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | E,F | 1DY8 | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 1PPM | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 1GEC | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KS7 | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | C | 1A8G | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KKK | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | T,U,V,W,X,Y | 1QDU | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 4TMN | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 5TMN | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KTO | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | A,C | 1TG1 | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2AZ8 | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 2G58 | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | Q,R,S,T,U,V | 1F9E | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CJY | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | A,I | 1E8M | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KR6 | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 6TMN | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KRO | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CNN | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C2O | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 1SQZ | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 1THE | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | I,J | 2AZC | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 5EST | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CNK | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KL6 | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 6PAD | 0.7 | |
PHQ | FORMIC ACID BENZYL ESTER | B,I | 2C2Z | 0.7 | |
LYL | 2-ALLYL-6-METHYL-PHENOL | A | 1OV7 | 0.7 | |
341 | (3,5-difluorophenyl)methanol | C | 3EON | 0.74 | |
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 | 0.73 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | A,B | 1C1X | 0.73 | |
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 | 0.73 | |
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 | 0.73 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1QRP | 0.73 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | A | 2CTC | 0.73 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1E82 | 0.73 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1E81 | 0.73 | |
OST | METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE | C,D,E | 1SQQ | 0.7 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1K5S | 0.75 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1KEC | 0.75 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1K7D | 0.75 | |
OPH | 2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER | E,I | 1PPM | 0.71 | |
OPH | 2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER | E,I | 1PPL | 0.71 | |
IBP | IBUPROFEN | A | 3FKX | 0.75 | |
IBP | IBUPROFEN | A,B | 2BXG | 0.75 | |
IBP | IBUPROFEN | A,B | 1EQG | 0.75 | |
IBP | IBUPROFEN | A,B,C | 2WD9 | 0.75 | |
IBP | IBUPROFEN | A | 2PWS | 0.75 | |
PDH | (2S)-2-AMINO-3-PHENYL-1-PROPANOL | A | 1GQ0 | 0.71 | |
HCI | HYDROCINNAMIC ACID | A,B | 1BXG | 0.73 | |
HCI | HYDROCINNAMIC ACID | A,B | 1TOG | 0.73 | |
HCI | HYDROCINNAMIC ACID | A,B | 1V2F | 0.73 | |
HCI | HYDROCINNAMIC ACID | A,B | 1AHX | 0.73 | |
HCI | HYDROCINNAMIC ACID | A | 1TOI | 0.73 | |
HCI | HYDROCINNAMIC ACID | A,B | 1AY8 | 0.73 | |
HCI | HYDROCINNAMIC ACID | A | 1TOJ | 0.73 | |
BGG | CARBONIC ACID MONOBENZYL ESTER | B,D | 1DLK | 0.73 | |
EST | ESTRADIOL | A,B | 1GWR | 0.7 | |
EST | ESTRADIOL | A | 1FDS | 0.7 | |
EST | ESTRADIOL | A,B,C | 1G50 | 0.7 | |
EST | ESTRADIOL | A,B,C,D,E,F | 1ERE | 0.7 | |
EST | ESTRADIOL | A,B | 1A52 | 0.7 | |
EST | ESTRADIOL | A | 1FDT | 0.7 | |
EST | ESTRADIOL | A | 2OCF | 0.7 | |
EST | ESTRADIOL | A,B,C | 1QKU | 0.7 | |
EST | ESTRADIOL | A,B,C,D,L | 1E6W | 0.7 | |
EST | ESTRADIOL | A | 1IOL | 0.7 | |
EST | ESTRADIOL | H | 1JNN | 0.7 | |
EST | ESTRADIOL | B | 1QKT | 0.7 | |
EST | ESTRADIOL | A | 1FDW | 0.7 | |
EST | ESTRADIOL | A,B | 1AQU | 0.7 | |
EST | ESTRADIOL | A | 1LHU | 0.7 | |
EST | ESTRADIOL | A | 1A27 | 0.7 | |
EST | ESTRADIOL | L | 1JGL | 0.7 | |
EST | ESTRADIOL | A,B,E,F | 1PCG | 0.7 | |
EST | ESTRADIOL | A,B,C,D | 1FDU | 0.7 | |
EST | ESTRADIOL | A | 2J7X | 0.7 | |
EST | ESTRADIOL | A,B | 2D06 | 0.7 | |
BPI | (1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A,P,T | 2I9G | 0.74 | |
BPI | (1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A | 1HWV | 0.74 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A | 1OS0 | 0.72 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJI | 0.72 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJJ | 0.72 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 2VS2 | 0.72 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 1OD1 | 0.72 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | E | 1EPR | 0.72 | |
B08 | A,B | 2E99 | 0.78 | ||
BZR | 1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1MXJ | 0.74 | |
PPT | 3-(P-TOLYL)PROPIONIC ACID | A,B | 2AY4 | 0.72 | |
BPJ | (1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A | 2ROU | 0.74 | |
BPJ | (1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A | 1HX4 | 0.74 | |
IOB | 3-IODO-BENZYL ALCOHOL | A,B | 1QK0 | 0.76 | |
BZA | 1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1DL4 | 0.74 | |
BZA | 1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1I7V | 0.74 | |
BZA | 1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1QBY | 0.74 | |
TBT | 8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE- 8,9,10-TRIOL | A | 1DJD | 0.74 | |
CLT | 4-PHENYL-BUTANOIC ACID | A | 1THL | 0.72 | |
CLT | 4-PHENYL-BUTANOIC ACID | A,B | 2AY7 | 0.72 | |
CLT | 4-PHENYL-BUTANOIC ACID | E,I | 1TMN | 0.72 | |
DFA | DIPHENYLACETIC ACID | A,B,C | 1GMY | 0.79 | |
BDB | A,B | 1KE3 | 0.77 | ||
NDH | (1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE | A,B | 1O7P | 0.78 | |
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 | 0.7 | |
B28 | A,B | 2E9A | 0.77 | ||
5PV | 5-PHENYLVALERIC ACID | A,B | 2AY9 | 0.74 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1I0D | 0.87 | |
PEL | 2-PHENYL-ETHANOL | D,H | 2I0T | 0.87 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1HZY | 0.87 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1I0B | 0.87 | |
PEL | 2-PHENYL-ETHANOL | A | 1EYW | 0.87 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1JGM | 0.87 | |
FLP | FLURBIPROFEN | A,B,C,D | 3PGH | 0.75 | |
FLP | FLURBIPROFEN | A,B | 1CQE | 0.75 | |
FLP | FLURBIPROFEN | A,B | 1EQH | 0.75 | |
FLP | FLURBIPROFEN | A,B | 2AYL | 0.75 | |
FLP | FLURBIPROFEN | A | 1DVT | 0.75 | |
FLP | FLURBIPROFEN | A | 1R9O | 0.75 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1AXV | 0.72 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A,E | 2IBK | 0.72 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A,B,C,D,E,F | 2IA6 | 0.72 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1Y9H | 0.72 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1FYY | 0.72 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1AXO | 0.72 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1DXA | 0.72 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1AXL | 0.72 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A,B,D,E,F | 1S0M | 0.72 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1BPS | 0.72 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A,C | 1XC9 | 0.72 | |
PPP | 3-PHENYL-1,2-PROPANDIOL | A,B | 1HRN | 0.84 | |
DES | DIETHYLSTILBESTROL | A,B,C,D | 1S9P | 0.74 | |
DES | DIETHYLSTILBESTROL | A,B | 3ERD | 0.74 | |
DES | DIETHYLSTILBESTROL | A,B | 1TT6 | 0.74 | |
DES | DIETHYLSTILBESTROL | A,B,C,D | 1TZ8 | 0.74 | |
COR | 2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANE | A | 9HVP | 0.72 | |
2HS | HEXYLPHOSPHONIC ACID (S)-2-METHYL- 3-PHENYLPROPYL ESTER | X | 1YS2 | 0.74 | |
791 | 2-PHENYLMALONIC ACID | A | 1O4P | 0.73 | |
2HR | HEXYLPHOSPHONIC ACID (R)-2-METHYL- 3-PHENYLPROPYL ESTER | X | 1YS1 | 0.74 | |
I59 | HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID | A | 1O4G | 0.76 | |
12M | (2-ETHYLPHENYL)METHANOL | A,B | 2F62 | 0.81 | |
MXN | (2R)-hydroxy(phenyl)ethanenitrile | A,B | 3GDN | 0.74 | |
PBA | PHENYLETHANE BORONIC ACID | C,G | 6CHA | 0.72 | |
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 | |
SS1 | 1-PHENYLETHANOL | H | 1UM5 | 0.79 | |
DFB | 2,3-DIFLUOROBENZYL ALCOHOL | A,B | 1QV7 | 0.75 | |
DFB | 2,3-DIFLUOROBENZYL ALCOHOL | A,B,C,D | 1MG0 | 0.75 | |
BPZ | 4,4'-cyclohexane-1,1-diyldiphenol | A | 2ZKC | 0.76 | |
269 | (1R)-3-chloro-1-phenylpropan-1- ol | A | 2RBS | 0.74 | |
BFL | A,B | 1Q4G | 0.77 | ||
FL2 | FLURBIPROFEN METHYL ESTER | A,B | 1HT5 | 0.71 | |
PAC | 2-PHENYLACETIC ACID | B | 1PNL | 0.74 | |
PAC | 2-PHENYLACETIC ACID | B | 1K5Q | 0.74 | |
PAC | 2-PHENYLACETIC ACID | B | 1FXH | 0.74 | |
PAC | 2-PHENYLACETIC ACID | A | 2ISF | 0.74 | |
PAC | 2-PHENYLACETIC ACID | A | 2INE | 0.74 | |
NLA | NAPHTHALEN-1-YL-ACETIC ACID | A,B,C,D | 1LRH | 0.74 | |
NLA | NAPHTHALEN-1-YL-ACETIC ACID | B | 2P1O | 0.74 | |
OBZ | O-benzylhydroxylamine | A,B | 3DTH | 0.73 | |
OBZ | O-benzylhydroxylamine | A,B | 3DTG | 0.73 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2E2R | 0.78 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2P7G | 0.78 | |
EYK | 2-tert-butylbenzene-1,4-diol | D,F | 3EYM | 0.71 | |
EYK | 2-tert-butylbenzene-1,4-diol | B | 3EYK | 0.71 | |
2NA | naphthalen-2-ylmethanol | A,B,C | 3EE5 | 0.8 | |
MNN | (S)-MANDELIC ACID NITRILE | A | 1YB6 | 0.74 | |
TBC | (9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE | A | 1N8C | 0.77 | |
BP7 | 1,1'-BIPHENYL-3,4-DIOL | A | 2EI0 | 0.71 | |
BIP | 2-BENZYL-3-IODOPROPANOIC ACID | A,B,C,D | 1BAV | 0.71 | |
HXS | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.74 | |
LJ1 | 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol | A,B | 3CN0 | 0.72 | |
RSO | R-STYRENE OXIDE | A,B | 1PWZ | 0.71 | |
4FA | 4-FLUOROPHENETHYL ALCOHOL | A | 1OWZ | 0.84 | |
KPV | 5-PHENYL-2-KETO-VALERIC ACID | A,B | 2Q5Q | 0.71 | |
1PB | 1,4-DIPHENYL-2-BUTENE | A,B | 1OJ9 | 0.72 | |
EPT | HEPTANYL-P-PHENOL | A,B | 1AHZ | 0.71 | |
1OH | 4-(1-methyl-1-phenylethyl)phenol | A | 2ZAS | 0.77 | |
PFL | 2,6-BIS(1-METHYLETHYL)PHENOL | A,B | 1E7A | 0.72 |