Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00493503
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 |
FPR![]() | PROPYLBENZENE | C | 1RHK | 0.73 | ![]() |
23F![]() | (2Z)-2-AMINO-3-PHENYLACRYLIC ACID | A | 1VRZ | 0.71 | ![]() |
LEG![]() | 1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE | A,B | 2PIN | 0.76 | ![]() |
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 | ![]() |
PPY![]() | 3-PHENYLPYRUVIC ACID | A,B | 2Q5O | 0.78 | ![]() |
PPY![]() | 3-PHENYLPYRUVIC ACID | A,B | 1LCO | 0.78 | ![]() |
PPY![]() | 3-PHENYLPYRUVIC ACID | A,B,C,D,E,F | 2ZF4 | 0.78 | ![]() |
PPY![]() | 3-PHENYLPYRUVIC ACID | A,B | 1BW9 | 0.78 | ![]() |
HPK![]() | (3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE | A | 2PUH | 0.8 | ![]() |
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 | ![]() |
SS1![]() | 1-PHENYLETHANOL | H | 1UM5 | 0.7 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1BXG | 0.74 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1TOG | 0.74 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1V2F | 0.74 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1AHX | 0.74 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A | 1TOI | 0.74 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1AY8 | 0.74 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A | 1TOJ | 0.74 | ![]() |
CLT![]() | 4-PHENYL-BUTANOIC ACID | A | 1THL | 0.73 | ![]() |
CLT![]() | 4-PHENYL-BUTANOIC ACID | A,B | 2AY7 | 0.73 | ![]() |
CLT![]() | 4-PHENYL-BUTANOIC ACID | E,I | 1TMN | 0.73 | ![]() |
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 | ![]() |
HPZ![]() | (2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID | A | 2PUJ | 0.76 | ![]() |
173![]() | BENZOYL-FORMIC ACID | A,B | 1SZE | 0.78 | ![]() |
PPP![]() | 3-PHENYL-1,2-PROPANDIOL | A,B | 1HRN | 0.73 | ![]() |
RS7![]() | (2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID | A,B | 2P0M | 0.74 | ![]() |
RS7![]() | (2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID | A | 1LOX | 0.74 | ![]() |
5PV![]() | 5-PHENYLVALERIC ACID | A,B | 2AY9 | 0.73 | ![]() |
HPX![]() | (2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID | A,B,C,D | 2DSA | 0.76 | ![]() |
IBP![]() | IBUPROFEN | A | 3FKX | 0.7 | ![]() |
IBP![]() | IBUPROFEN | A,B | 2BXG | 0.7 | ![]() |
IBP![]() | IBUPROFEN | A,B | 1EQG | 0.7 | ![]() |
IBP![]() | IBUPROFEN | A,B,C | 2WD9 | 0.7 | ![]() |
IBP![]() | IBUPROFEN | A | 2PWS | 0.7 | ![]() |
4MA![]() | 4-METHYLBENZOIC ACID | A,H | 2HRG | 0.71 | ![]() |
PPT![]() | 3-(P-TOLYL)PROPIONIC ACID | A,B | 2AY4 | 0.73 | ![]() |
PXY![]() | PARA-XYLENE | A | 187L | 0.73 | ![]() |
PXY![]() | PARA-XYLENE | A | 225L | 0.73 | ![]() |
TOH![]() | (3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT- 3-ENOIC ACID | A | 2IME | 0.74 | ![]() |
TOH![]() | (3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT- 3-ENOIC ACID | A | 2IMD | 0.74 | ![]() |
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 | ![]() |
APG![]() | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MRA | 0.72 | ![]() |
APG![]() | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MNS | 0.72 | ![]() |
APG![]() | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1DTN | 0.72 | ![]() |
APG![]() | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MDR | 0.72 | ![]() |
DMW![]() | 2,3-DIMETHYL-1,4-NAPHTHOQUINONE | A,B,C,D,E,F | 2BS4 | 0.74 | ![]() |
KPV![]() | 5-PHENYL-2-KETO-VALERIC ACID | A,B | 2Q5Q | 0.78 | ![]() |
TCA![]() | PHENYLETHYLENECARBOXYLIC ACID | A | 1BE6 | 0.81 | ![]() |
TCA![]() | PHENYLETHYLENECARBOXYLIC ACID | A | 1BE8 | 0.81 | ![]() |
TCA![]() | PHENYLETHYLENECARBOXYLIC ACID | A,B,C,D,E,F, G,H | 2O78 | 0.81 | ![]() |
4FA![]() | 4-FLUOROPHENETHYL ALCOHOL | A | 1OWZ | 0.7 | ![]() |
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 | ![]() |
BZQ![]() | DIPHENYLMETHANONE | A,B | 1GT5 | 0.74 | ![]() |
BZQ![]() | DIPHENYLMETHANONE | A,B | 1DZP | 0.74 | ![]() |
PAC![]() | 2-PHENYLACETIC ACID | B | 1PNL | 0.73 | ![]() |
PAC![]() | 2-PHENYLACETIC ACID | B | 1K5Q | 0.73 | ![]() |
PAC![]() | 2-PHENYLACETIC ACID | B | 1FXH | 0.73 | ![]() |
PAC![]() | 2-PHENYLACETIC ACID | A | 2ISF | 0.73 | ![]() |
PAC![]() | 2-PHENYLACETIC ACID | A | 2INE | 0.73 | ![]() |
C0E![]() | 3-fluoro-6-(4-fluorophenyl)-2-hydroxy- 6-oxohexa-2,4-dienoic acid | A | 2RHW | 0.72 | ![]() |
SS2![]() | (1R)-1-PHENYLETHANOL | A | 1ZK0 | 0.7 | ![]() |
SS2![]() | (1R)-1-PHENYLETHANOL | A | 1ZJZ | 0.7 | ![]() |
SS2![]() | (1R)-1-PHENYLETHANOL | A | 1ZJY | 0.7 | ![]() |
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 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | A,B | 1I0D | 0.73 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | D,H | 2I0T | 0.73 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | A,B | 1HZY | 0.73 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | A,B | 1I0B | 0.73 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | A | 1EYW | 0.73 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | A,B | 1JGM | 0.73 | ![]() |
AC0![]() | 1-PHENYLETHANONE | A | 1ZK1 | 0.79 | ![]() |
AC0![]() | 1-PHENYLETHANONE | A | 1ZK4 | 0.79 | ![]() |
OPH![]() | 2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER | E,I | 1PPM | 0.72 | ![]() |
OPH![]() | 2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER | E,I | 1PPL | 0.72 | ![]() |
C1E![]() | (2Z,4E)-3-chloro-2-hydroxy-6-oxo- 6-phenylhexa-2,4-dienoic acid | A | 2RHT | 0.73 | ![]() |
VK3![]() | MENADIONE | A | 1TUV | 0.74 | ![]() |
VK3![]() | MENADIONE | A,B | 2QR2 | 0.74 | ![]() |
N4B![]() | N-BUTYLBENZENE | A | 186L | 0.73 | ![]() |
OXE![]() | ORTHO-XYLENE | A,B | 3E0X | 0.71 | ![]() |
OXE![]() | ORTHO-XYLENE | A | 188L | 0.71 | ![]() |
ARL![]() | 7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA- 2,4,6-TRIENOIC ACID | A | 1NQ7 | 0.72 | ![]() |
PBA![]() | PHENYLETHANE BORONIC ACID | C,G | 6CHA | 0.75 | ![]() |
CVB![]() | 4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID | A,B | 1KE0 | 0.8 | ![]() |
2HC![]() | (2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID | A,B | 1V5Z | 0.7 | ![]() |
GW5![]() | (2E)-3-{4-[(1E)-1,2-DIPHENYLBUT- 1-ENYL]PHENYL}ACRYLIC ACID | A,B,C | 1R5K | 0.72 | ![]() |