Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02176333
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 |
BZM![]() | BENZOIC ACID PHENYLMETHYLESTER | A,B | 1DZM | 0.74 | ![]() |
FPR![]() | PROPYLBENZENE | C | 1RHK | 0.73 | ![]() |
GW5![]() | (2E)-3-{4-[(1E)-1,2-DIPHENYLBUT- 1-ENYL]PHENYL}ACRYLIC ACID | A,B,C | 1R5K | 0.8 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A,I | 2F4O | 0.77 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A | 1KJO | 0.77 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | I | 2CDR | 0.77 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | I | 2C1E | 0.77 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | I | 5PAD | 0.77 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | E,F | 1JXQ | 0.77 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A | 2CNO | 0.77 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A,B | 1CGL | 0.77 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | I | 2AZ9 | 0.77 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | I | 2C2K | 0.77 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A,I | 2CNL | 0.77 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A | 1KJP | 0.77 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | I | 2C2M | 0.77 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | I | 2AZB | 0.77 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A | 9HVP | 0.77 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A | 1ESB | 0.77 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | E,F | 1DY8 | 0.77 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | E,I | 1PPM | 0.77 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | I | 1GEC | 0.77 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A | 1KS7 | 0.77 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | C | 1A8G | 0.77 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A | 1KKK | 0.77 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | T,U,V,W,X,Y | 1QDU | 0.77 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | E,I | 4TMN | 0.77 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | E,I | 5TMN | 0.77 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A | 1KTO | 0.77 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A,C | 1TG1 | 0.77 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | I | 2AZ8 | 0.77 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A,B | 2G58 | 0.77 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | Q,R,S,T,U,V | 1F9E | 0.77 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | I | 2CJY | 0.77 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A,I | 1E8M | 0.77 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A | 1KR6 | 0.77 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | E,I | 6TMN | 0.77 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A | 1KRO | 0.77 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | I | 2CNN | 0.77 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | I | 2C2O | 0.77 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A,B | 1SQZ | 0.77 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A,B | 1THE | 0.77 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | I,J | 2AZC | 0.77 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | E,I | 5EST | 0.77 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | I | 2CNK | 0.77 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A | 1KL6 | 0.77 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | I | 6PAD | 0.77 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | B,I | 2C2Z | 0.77 | ![]() |
MBN![]() | TOLUENE | A,B | 3D7O | 0.72 | ![]() |
MBN![]() | TOLUENE | A,B | 1R1X | 0.72 | ![]() |
MBN![]() | TOLUENE | A,B | 1JLX | 0.72 | ![]() |
MBN![]() | TOLUENE | A,B,C,D | 3D17 | 0.72 | ![]() |
MBN![]() | TOLUENE | A,B | 2VRL | 0.72 | ![]() |
MBN![]() | TOLUENE | A,I | 2Z3E | 0.72 | ![]() |
MBN![]() | TOLUENE | A,B | 1YZI | 0.72 | ![]() |
MBN![]() | TOLUENE | A,B | 2DN1 | 0.72 | ![]() |
MBN![]() | TOLUENE | A,B | 3EN1 | 0.72 | ![]() |
AC0![]() | 1-PHENYLETHANONE | A | 1ZK1 | 0.72 | ![]() |
AC0![]() | 1-PHENYLETHANONE | A | 1ZK4 | 0.72 | ![]() |
PXY![]() | PARA-XYLENE | A | 187L | 0.75 | ![]() |
PXY![]() | PARA-XYLENE | A | 225L | 0.75 | ![]() |
OST![]() | METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE | C,D,E | 1SQQ | 0.73 | ![]() |
EBP![]() | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1DPM | 0.72 | ![]() |
EBP![]() | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1P6B | 0.72 | ![]() |
EBP![]() | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1PSC | 0.72 | ![]() |
EBP![]() | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 3E3H | 0.72 | ![]() |
EBP![]() | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1QW7 | 0.72 | ![]() |
EBP![]() | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1P6C | 0.72 | ![]() |
PPT![]() | 3-(P-TOLYL)PROPIONIC ACID | A,B | 2AY4 | 0.73 | ![]() |
ARL![]() | 7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA- 2,4,6-TRIENOIC ACID | A | 1NQ7 | 0.79 | ![]() |
RSO![]() | R-STYRENE OXIDE | A,B | 1PWZ | 0.7 | ![]() |
TCA![]() | PHENYLETHYLENECARBOXYLIC ACID | A | 1BE6 | 0.88 | ![]() |
TCA![]() | PHENYLETHYLENECARBOXYLIC ACID | A | 1BE8 | 0.88 | ![]() |
TCA![]() | PHENYLETHYLENECARBOXYLIC ACID | A,B,C,D,E,F, G,H | 2O78 | 0.88 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1BXG | 0.72 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1TOG | 0.72 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1V2F | 0.72 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1AHX | 0.72 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A | 1TOI | 0.72 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1AY8 | 0.72 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A | 1TOJ | 0.72 | ![]() |
CIN![]() | 4-CARBOXYCINNAMIC ACID | A,B,C,D | 1HAB | 0.71 | ![]() |
CIN![]() | 4-CARBOXYCINNAMIC ACID | A,B | 1T6J | 0.71 | ![]() |
HPK![]() | (3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE | A | 2PUH | 0.74 | ![]() |
4MA![]() | 4-METHYLBENZOIC ACID | A,H | 2HRG | 0.73 | ![]() |
PYL![]() | PHENYLETHANE | C | 1B07 | 0.73 | ![]() |
PYL![]() | PHENYLETHANE | A,B | 2VRM | 0.73 | ![]() |
PYL![]() | PHENYLETHANE | A | 1NHB | 0.73 | ![]() |
3PL![]() | 3-PHENYLPROPANAL | E | 1Y3G | 0.7 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A | 1OS0 | 0.71 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJI | 0.71 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJJ | 0.71 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 2VS2 | 0.71 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 1OD1 | 0.71 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | E | 1EPR | 0.71 | ![]() |
5PV![]() | 5-PHENYLVALERIC ACID | A,B | 2AY9 | 0.71 | ![]() |
RS7![]() | (2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID | A,B | 2P0M | 0.81 | ![]() |
RS7![]() | (2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID | A | 1LOX | 0.81 | ![]() |
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 | ![]() | |
I4B![]() | ISOBUTYLBENZENE | A | 184L | 0.71 | ![]() |
LEG![]() | 1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE | A,B | 2PIN | 0.72 | ![]() |
23F![]() | (2Z)-2-AMINO-3-PHENYLACRYLIC ACID | A | 1VRZ | 0.77 | ![]() |
CVB![]() | 4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID | A,B | 1KE0 | 0.87 | ![]() |
N4B![]() | N-BUTYLBENZENE | A | 186L | 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 | 0.76 | ![]() |
OXE![]() | ORTHO-XYLENE | A,B | 3E0X | 0.71 | ![]() |
OXE![]() | ORTHO-XYLENE | A | 188L | 0.71 | ![]() |
HPX![]() | (2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID | A,B,C,D | 2DSA | 0.72 | ![]() |
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 | ![]() |
PBA![]() | PHENYLETHANE BORONIC ACID | C,G | 6CHA | 0.73 | ![]() |
BGG![]() | CARBONIC ACID MONOBENZYL ESTER | B,D | 1DLK | 0.76 | ![]() |
2HC![]() | (2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID | A,B | 1V5Z | 0.7 | ![]() |
HPZ![]() | (2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID | A | 2PUJ | 0.72 | ![]() |