Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01089455
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 |
NBE | NITROSOBENZENE | A | 1LH7 | 0.71 | |
NBE | NITROSOBENZENE | A | 2LH7 | 0.71 | |
NBE | NITROSOBENZENE | A | 2NSS | 0.71 | |
XYD | 2,5-DIMETHYLANILINE | A,B,C,D | 1KYA | 0.74 | |
XYD | 2,5-DIMETHYLANILINE | A | 1L4L | 0.74 | |
APB | M-AMINOPHENYLBORONIC ACID | A,B | 3BLS | 0.78 | |
5AN | 3,5-DIFLUOROANILINE | A | 1LGX | 0.74 | |
SBN | 2-AMINO-6-(3,5-DIMETHYLPHENYL)SULFONYLBENZONITRILE | A | 1JLQ | 0.71 | |
1MR | N-METHYLANILINE | X | 2OTZ | 0.73 | |
DBP | 1,3-DIAMINOBENZYL PHENYLALANINE | A | 1A85 | 0.7 | |
TFM | S-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREA | A,B | 1K2U | 0.72 | |
PRY | 2-PROPYL-ANILINE | A | 1OWY | 0.75 | |
34A | 3,4-DIMETHYLANILINE | A | 1L4K | 0.72 | |
AAS | 3-ACTOXYMERCURI-4-AMINOBENZENESULFONAMIDE | A | 1CZM | 0.76 | |
NYL | N-ALLYL-ANILINE | A | 1OVK | 0.71 | |
ISO | PARA-ISOPROPYLANILINE | A | 1BMA | 0.72 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELC | 0.72 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELB | 0.72 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELA | 0.72 | |
NHP | 4-(2-AMINOPHENYLTHIO)-BUTYLPHOSPHONIC ACID | A,B | 1CX9 | 0.84 | |
PTU | 2-ETHYL-1-PHENYL-ISOTHIOUREA | A,B | 1K2T | 0.81 | |
PTU | 2-ETHYL-1-PHENYL-ISOTHIOUREA | A,B | 1D1V | 0.81 | |
ETP | 3-(4-BENZENESULFONYL-THIOPHENE- 2-SULFONYLAMINO)-PHENYLBORONIC ACID | A,B | 1GA9 | 0.75 | |
PHZ | 1-PHENYLHYDRAZINE | A | 2E2T | 0.73 | |
PHZ | 1-PHENYLHYDRAZINE | D,H | 2AGL | 0.73 | |
UA5 | (4-ETHYLPHENYL)SULFAMIC ACID | A,B | 2I5X | 0.7 | |
ANL | ANILINE | A | 2OV4 | 0.79 | |
ANL | ANILINE | A | 1AEE | 0.79 | |
ANL | ANILINE | A | 1PPA | 0.79 | |
ANL | ANILINE | A | 1HJ9 | 0.79 | |
5BM | (2Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrile | A | 3EQH | 0.77 | |
ROK | 4-AMINO-N-[(2-SULFANYLETHYL)CARBAMOYL]BENZENESULFONAMIDE | A,B,C,D,E,F, G,H | 2VT5 | 0.72 | |
1AN | 2-FLUOROANILINE | A | 1LGW | 0.76 | |
SAN | SULFANILAMIDE | A | 1AJ0 | 0.8 | |
259 | 1-(methylsulfanyl)-4-nitrobenzene | X | 2RAZ | 0.82 | |
FLM | 3-FLUORO-2-METHYL-ANILINE | A | 1OVJ | 0.72 | |
AMS | 3-MERCURI-4-AMINOBENZENESULFONAMIDE | A | 3CA2 | 0.79 | |
ASR | 4-AMINOPHENYLARSONIC ACID | A | 1N4F | 0.78 | |
CS1 | S-(2-ANILINYL-SULFANYL)-CYSTEINE | A,B | 2OMA | 0.71 |