Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03374997
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 |
2HR | HEXYLPHOSPHONIC ACID (R)-2-METHYL- 3-PHENYLPROPYL ESTER | X | 1YS1 | 0.7 | |
AC0 | 1-PHENYLETHANONE | A | 1ZK1 | 0.78 | |
AC0 | 1-PHENYLETHANONE | A | 1ZK4 | 0.78 | |
1LP | TRANYLCYPROMINE | A,B | 1OJB | 0.87 | |
2HS | HEXYLPHOSPHONIC ACID (S)-2-METHYL- 3-PHENYLPROPYL ESTER | X | 1YS2 | 0.7 | |
MQ8 | MENAQUINONE 8 | C,H,L,M | 1EYS | 0.74 | |
DEN | INDENE | A | 183L | 0.73 | |
9TA | 1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE | A,B | 1FDG | 0.72 | |
CVB | 4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID | A,B | 1KE0 | 0.72 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A | 1OS0 | 0.7 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJI | 0.7 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJJ | 0.7 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 2VS2 | 0.7 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 1OD1 | 0.7 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | E | 1EPR | 0.7 | |
LEG | 1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE | A,B | 2PIN | 0.79 | |
BDB | A,B | 1KE3 | 0.73 | ||
PQN | PHYLLOQUINONE | A,B,C,F,I,J, K,L,M,X | 1JB0 | 0.76 | |
PQN | PHYLLOQUINONE | 1,2,3,4,A,B, C,F,G,H,I,J, K,L | 2O01 | 0.76 | |
PQN | PHYLLOQUINONE | A,B,C,F,K,L | 2PPS | 0.76 | |
PQN | PHYLLOQUINONE | A,B,C,F,K,L | 1C51 | 0.76 | |
PQN | PHYLLOQUINONE | 0,1,2,3,4,5, 6,7,8,9,A,B, C,F,G,H,J,K, L,P,Q,R,U,V, W,Z | 1QZV | 0.76 | |
MQ7 | MENAQUINONE-7 | C,H,L,M | 1PRC | 0.74 | |
MQ7 | MENAQUINONE-7 | A,B,D,M,N,P | 2B76 | 0.74 | |
MQ7 | MENAQUINONE-7 | C,H,L,M | 5PRC | 0.74 | |
MQ7 | MENAQUINONE-7 | C,H,L,M | 7PRC | 0.74 | |
MQ7 | MENAQUINONE-7 | C,H,L,M | 2PRC | 0.74 | |
MQ7 | MENAQUINONE-7 | C,H,L,M | 1R2C | 0.74 | |
MQ7 | MENAQUINONE-7 | A,B,C,E,F,G | 2VPW | 0.74 | |
MQ7 | MENAQUINONE-7 | C,H,L,M | 3PRC | 0.74 | |
MQ7 | MENAQUINONE-7 | A,B,D,M,N,O,P | 1L0V | 0.74 | |
MQ7 | MENAQUINONE-7 | C,H,L,M | 2JBL | 0.74 | |
MQ7 | MENAQUINONE-7 | C,H,L,M | 6PRC | 0.74 | |
GW5 | (2E)-3-{4-[(1E)-1,2-DIPHENYLBUT- 1-ENYL]PHENYL}ACRYLIC ACID | A,B,C | 1R5K | 0.71 | |
HBX | benzaldehyde | A,B | 3GDN | 0.79 | |
BP4 | BIPHENYL-4-YL-ACETALDEHYDE | A,B,E,F,G,H | 1MHW | 0.8 | |
PYL | PHENYLETHANE | C | 1B07 | 0.76 | |
PYL | PHENYLETHANE | A,B | 2VRM | 0.76 | |
PYL | PHENYLETHANE | A | 1NHB | 0.76 | |
MBN | TOLUENE | A,B | 3D7O | 0.73 | |
MBN | TOLUENE | A,B | 1R1X | 0.73 | |
MBN | TOLUENE | A,B | 1JLX | 0.73 | |
MBN | TOLUENE | A,B,C,D | 3D17 | 0.73 | |
MBN | TOLUENE | A,B | 2VRL | 0.73 | |
MBN | TOLUENE | A,I | 2Z3E | 0.73 | |
MBN | TOLUENE | A,B | 1YZI | 0.73 | |
MBN | TOLUENE | A,B | 2DN1 | 0.73 | |
MBN | TOLUENE | A,B | 3EN1 | 0.73 | |
MQ9 | MENAQUINONE-9 | C,H,L,M | 3D38 | 0.74 | |
MQ9 | MENAQUINONE-9 | C,H,L,M | 1VRN | 0.74 | |
MQ9 | MENAQUINONE-9 | C,H,L,M | 2I5N | 0.74 | |
MQ9 | MENAQUINONE-9 | C,H,L,M,U | 1DXR | 0.74 | |
N4B | N-BUTYLBENZENE | A | 186L | 0.76 | |
DMW | 2,3-DIMETHYL-1,4-NAPHTHOQUINONE | A,B,C,D,E,F | 2BS4 | 0.74 | |
PXY | PARA-XYLENE | A | 187L | 0.74 | |
PXY | PARA-XYLENE | A | 225L | 0.74 | |
RS7 | (2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID | A,B | 2P0M | 0.75 | |
RS7 | (2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID | A | 1LOX | 0.75 | |
3PL | 3-PHENYLPROPANAL | E | 1Y3G | 0.83 | |
I4B | ISOBUTYLBENZENE | A | 184L | 0.79 | |
ARL | 7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA- 2,4,6-TRIENOIC ACID | A | 1NQ7 | 0.73 | |
BZQ | DIPHENYLMETHANONE | A,B | 1GT5 | 0.75 | |
BZQ | DIPHENYLMETHANONE | A,B | 1DZP | 0.75 | |
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 | |
TCA | PHENYLETHYLENECARBOXYLIC ACID | A | 1BE6 | 0.73 | |
TCA | PHENYLETHYLENECARBOXYLIC ACID | A | 1BE8 | 0.73 | |
TCA | PHENYLETHYLENECARBOXYLIC ACID | A,B,C,D,E,F, G,H | 2O78 | 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 | |
VK3 | MENADIONE | A | 1TUV | 0.74 | |
VK3 | MENADIONE | A,B | 2QR2 | 0.74 | |
PBA | PHENYLETHANE BORONIC ACID | C,G | 6CHA | 0.74 | |
FPR | PROPYLBENZENE | C | 1RHK | 0.76 | |
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1DPM | 0.71 | |
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1P6B | 0.71 | |
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1PSC | 0.71 | |
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 3E3H | 0.71 | |
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1QW7 | 0.71 | |
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1P6C | 0.71 | |
OXE | ORTHO-XYLENE | A,B | 3E0X | 0.79 | |
OXE | ORTHO-XYLENE | A | 188L | 0.79 | |
1PB | 1,4-DIPHENYL-2-BUTENE | A,B | 1OJ9 | 0.72 | |
NPY | NAPHTHALENE | A,B | 1O7G | 0.71 |