Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03745852
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 |
HPK | (3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE | A | 2PUH | 0.82 | |
TOM | 4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID | A | 2IMF | 0.7 | |
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 | |
DMW | 2,3-DIMETHYL-1,4-NAPHTHOQUINONE | A,B,C,D,E,F | 2BS4 | 0.72 | |
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 | |
HPZ | (2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID | A | 2PUJ | 0.76 | |
AC0 | 1-PHENYLETHANONE | A | 1ZK1 | 0.75 | |
AC0 | 1-PHENYLETHANONE | A | 1ZK4 | 0.75 | |
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 | |
CP5 | (2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}- 2-PHENYLACRYLATE | A | 1SCW | 0.7 | |
BIP | 2-BENZYL-3-IODOPROPANOIC ACID | A,B,C,D | 1BAV | 0.7 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A | 1OS0 | 0.74 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJI | 0.74 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJJ | 0.74 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 2VS2 | 0.74 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 1OD1 | 0.74 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | E | 1EPR | 0.74 | |
PPT | 3-(P-TOLYL)PROPIONIC ACID | A,B | 2AY4 | 0.74 | |
KPV | 5-PHENYL-2-KETO-VALERIC ACID | A,B | 2Q5Q | 0.78 | |
173 | BENZOYL-FORMIC ACID | A,B | 1SZE | 0.77 | |
ELI | 6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID | A,B | 2GH5 | 0.73 | |
TCA | PHENYLETHYLENECARBOXYLIC ACID | A | 1BE6 | 0.74 | |
TCA | PHENYLETHYLENECARBOXYLIC ACID | A | 1BE8 | 0.74 | |
TCA | PHENYLETHYLENECARBOXYLIC ACID | A,B,C,D,E,F, G,H | 2O78 | 0.74 | |
TOH | (3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT- 3-ENOIC ACID | A | 2IME | 0.71 | |
TOH | (3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT- 3-ENOIC ACID | A | 2IMD | 0.71 | |
CVB | 4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID | A,B | 1KE0 | 0.76 | |
LEG | 1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE | A,B | 2PIN | 0.72 | |
BZS | L-BENZYLSUCCINIC ACID | A | 1CBX | 0.74 | |
BZS | L-BENZYLSUCCINIC ACID | A | 1HYT | 0.74 | |
BZS | L-BENZYLSUCCINIC ACID | A,B | 1WHT | 0.74 | |
C1E | (2Z,4E)-3-chloro-2-hydroxy-6-oxo- 6-phenylhexa-2,4-dienoic acid | A | 2RHT | 0.73 | |
OSB | 2-SUCCINYLBENZOATE | A | 1FHV | 0.72 | |
OSB | 2-SUCCINYLBENZOATE | A,B,C,D | 1SJB | 0.72 | |
OSB | 2-SUCCINYLBENZOATE | A,B | 2QVH | 0.72 | |
4MA | 4-METHYLBENZOIC ACID | A,H | 2HRG | 0.7 | |
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 | |
BZQ | DIPHENYLMETHANONE | A,B | 1GT5 | 0.7 | |
BZQ | DIPHENYLMETHANONE | A,B | 1DZP | 0.7 | |
OPH | 2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER | E,I | 1PPM | 0.74 | |
OPH | 2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER | E,I | 1PPL | 0.74 | |
C0E | 3-fluoro-6-(4-fluorophenyl)-2-hydroxy- 6-oxohexa-2,4-dienoic acid | A | 2RHW | 0.73 | |
VK3 | MENADIONE | A | 1TUV | 0.72 | |
VK3 | MENADIONE | A,B | 2QR2 | 0.72 | |
CIN | 4-CARBOXYCINNAMIC ACID | A,B,C,D | 1HAB | 0.7 | |
CIN | 4-CARBOXYCINNAMIC ACID | A,B | 1T6J | 0.7 | |
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 |