Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03337285
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 |
BP4![]() | BIPHENYL-4-YL-ACETALDEHYDE | A,B,E,F,G,H | 1MHW | 0.76 | ![]() |
3PL![]() | 3-PHENYLPROPANAL | E | 1Y3G | 0.81 | ![]() |
PTF![]() | [(METHYLSULFANYL)METHYL]BENZENE | C,F | 1RHQ | 0.84 | ![]() |
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 | ![]() |
I4B![]() | ISOBUTYLBENZENE | A | 184L | 0.72 | ![]() |
5PV![]() | 5-PHENYLVALERIC ACID | A,B | 2AY9 | 0.72 | ![]() |
FPR![]() | PROPYLBENZENE | C | 1RHK | 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 | ![]() |
PPT![]() | 3-(P-TOLYL)PROPIONIC ACID | A,B | 2AY4 | 0.72 | ![]() |
PXY![]() | PARA-XYLENE | A | 187L | 0.72 | ![]() |
PXY![]() | PARA-XYLENE | A | 225L | 0.72 | ![]() |
SEH![]() | S-BENZYL PHENYLACETOTHIOHYDROXIMATE- O-SULFATE | M | 1W9D | 0.73 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | B | 1PNM | 0.71 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A,B | 1SH7 | 0.71 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | B,C | 1BB0 | 0.71 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A,B | 1S2N | 0.71 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A,B | 1WB8 | 0.71 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A,B,C | 3CE4 | 0.71 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A,B | 1Y9Z | 0.71 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A | 3H18 | 0.71 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A | 3H17 | 0.71 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A | 2CBG | 0.71 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A | 1SUP | 0.71 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A,B | 1V6C | 0.71 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A,B | 1WPR | 0.71 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A,B | 1EQ9 | 0.71 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A,B | 1AUR | 0.71 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A | 1KLT | 0.71 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | B,C | 1CA8 | 0.71 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A | 2GKO | 0.71 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | B,C,D | 1BA8 | 0.71 | ![]() |
CPM![]() | S-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE- S-METHANE | A | 1CPS | 0.78 | ![]() |
DMW![]() | 2,3-DIMETHYL-1,4-NAPHTHOQUINONE | A,B,C,D,E,F | 2BS4 | 0.73 | ![]() |
ISA![]() | 3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID | A | 1NX3 | 0.75 | ![]() |
ISA![]() | 3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID | A,B | 1ALW | 0.75 | ![]() |
1LP![]() | TRANYLCYPROMINE | A,B | 1OJB | 0.8 | ![]() |
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 | ![]() |
M5P![]() | (S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID | A,B | 2YZ3 | 0.75 | ![]() |
HPQ![]() | HOMOPHENYLALANINYLMETHANE | B | 1EWP | 0.7 | ![]() |
PBP![]() | 1-(4-BROMO-PHENYL)-ETHANONE | A,B | 2OK9 | 0.7 | ![]() |
PBP![]() | 1-(4-BROMO-PHENYL)-ETHANONE | A,B | 1Z76 | 0.7 | ![]() |
PBP![]() | 1-(4-BROMO-PHENYL)-ETHANONE | A | 1BK9 | 0.7 | ![]() |
OXE![]() | ORTHO-XYLENE | A,B | 3E0X | 0.72 | ![]() |
OXE![]() | ORTHO-XYLENE | A | 188L | 0.72 | ![]() |
HPK![]() | (3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE | A | 2PUH | 0.71 | ![]() |
PBA![]() | PHENYLETHANE BORONIC ACID | C,G | 6CHA | 0.72 | ![]() |
MBN![]() | TOLUENE | A,B | 3D7O | 0.71 | ![]() |
MBN![]() | TOLUENE | A,B | 1R1X | 0.71 | ![]() |
MBN![]() | TOLUENE | A,B | 1JLX | 0.71 | ![]() |
MBN![]() | TOLUENE | A,B,C,D | 3D17 | 0.71 | ![]() |
MBN![]() | TOLUENE | A,B | 2VRL | 0.71 | ![]() |
MBN![]() | TOLUENE | A,I | 2Z3E | 0.71 | ![]() |
MBN![]() | TOLUENE | A,B | 1YZI | 0.71 | ![]() |
MBN![]() | TOLUENE | A,B | 2DN1 | 0.71 | ![]() |
MBN![]() | TOLUENE | A,B | 3EN1 | 0.71 | ![]() |
VK3![]() | MENADIONE | A | 1TUV | 0.73 | ![]() |
VK3![]() | MENADIONE | A,B | 2QR2 | 0.73 | ![]() |
N4B![]() | N-BUTYLBENZENE | A | 186L | 0.74 | ![]() |
PPY![]() | 3-PHENYLPYRUVIC ACID | A,B | 2Q5O | 0.71 | ![]() |
PPY![]() | 3-PHENYLPYRUVIC ACID | A,B | 1LCO | 0.71 | ![]() |
PPY![]() | 3-PHENYLPYRUVIC ACID | A,B,C,D,E,F | 2ZF4 | 0.71 | ![]() |
PPY![]() | 3-PHENYLPYRUVIC ACID | A,B | 1BW9 | 0.71 | ![]() |
BZQ![]() | DIPHENYLMETHANONE | A,B | 1GT5 | 0.75 | ![]() |
BZQ![]() | DIPHENYLMETHANONE | A,B | 1DZP | 0.75 | ![]() |
PYL![]() | PHENYLETHANE | C | 1B07 | 0.74 | ![]() |
PYL![]() | PHENYLETHANE | A,B | 2VRM | 0.74 | ![]() |
PYL![]() | PHENYLETHANE | A | 1NHB | 0.74 | ![]() |
HY1![]() | PHENYLACETALDEHYDE | D,H | 2I0S | 0.82 | ![]() |
HY1![]() | PHENYLACETALDEHYDE | A,B | 1D6Y | 0.82 | ![]() |
HY1![]() | PHENYLACETALDEHYDE | A,B | 1D6Z | 0.82 | ![]() |
HY1![]() | PHENYLACETALDEHYDE | D,H | 2OK4 | 0.82 | ![]() |
HY1![]() | PHENYLACETALDEHYDE | A,B | 1D6U | 0.82 | ![]() |
LEG![]() | 1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE | A,B | 2PIN | 0.77 | ![]() |
HBX![]() | benzaldehyde | A,B | 3GDN | 0.73 | ![]() |
PHM![]() | PHENYLALANYLMETHANE | A,I | 1PJP | 0.7 | ![]() |
PHM![]() | PHENYLALANYLMETHANE | A,B,C | 2J9J | 0.7 | ![]() |
PHM![]() | PHENYLALANYLMETHANE | A,B,C | 2JE4 | 0.7 | ![]() |
AC0![]() | 1-PHENYLETHANONE | A | 1ZK1 | 0.8 | ![]() |
AC0![]() | 1-PHENYLETHANONE | A | 1ZK4 | 0.8 | ![]() |
BCS![]() | BENZYLCYSTEINE | A,B,G,H | 10GS | 0.7 | ![]() |
BCS![]() | BENZYLCYSTEINE | A | 1EH8 | 0.7 | ![]() |
HZH![]() | 1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan- 2-one | A,B | 3DEA | 0.84 | ![]() |
GRO![]() | R-2-PHENYL-PROPRIONIC ACID | B | 1K5S | 0.71 | ![]() |
GRO![]() | R-2-PHENYL-PROPRIONIC ACID | B | 1KEC | 0.71 | ![]() |
GRO![]() | R-2-PHENYL-PROPRIONIC ACID | B | 1K7D | 0.71 | ![]() |
BTP![]() | 2-THIOMETHYL-3-PHENYLPROPANOIC ACID | A,B | 1JAO | 0.76 | ![]() |
STF![]() | (5R)-2-SULFANYL-5-[4-(TRIFLUOROMETHYL)BENZYL]- 1,3-THIAZOL-4-ONE | A | 2EXG | 0.73 | ![]() |
256![]() | PHENYL(SULFO)ACETIC ACID | A | 1O4Q | 0.72 | ![]() |
IBZ![]() | 2-IODOBENZYLTHIO GROUP | A,B | 1CEL | 0.71 | ![]() |
PAC![]() | 2-PHENYLACETIC ACID | B | 1PNL | 0.72 | ![]() |
PAC![]() | 2-PHENYLACETIC ACID | B | 1K5Q | 0.72 | ![]() |
PAC![]() | 2-PHENYLACETIC ACID | B | 1FXH | 0.72 | ![]() |
PAC![]() | 2-PHENYLACETIC ACID | A | 2ISF | 0.72 | ![]() |
PAC![]() | 2-PHENYLACETIC ACID | A | 2INE | 0.72 | ![]() |