Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02861524
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 |
5NS![]() | 5-aminonaphthalene-1-sulfonic acid | A,B | 3CFT | 0.71 | ![]() |
TFM![]() | S-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREA | A,B | 1K2U | 0.7 | ![]() |
1AN![]() | 2-FLUOROANILINE | A | 1LGW | 0.72 | ![]() |
IS2![]() | [(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID | A | 1O4J | 0.7 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | A,B | 2BDG | 0.78 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | A | 1RFN | 0.78 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 2BDI | 0.78 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | A,B,C,D | 2BDH | 0.78 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | A | 1FIZ | 0.78 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | A | 1FIW | 0.78 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | H,L,T | 2A2Q | 0.78 | ![]() |
DSM![]() | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QJU | 0.73 | ![]() |
DSM![]() | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QB4 | 0.73 | ![]() |
UA5![]() | (4-ETHYLPHENYL)SULFAMIC ACID | A,B | 2I5X | 0.79 | ![]() |
AHC![]() | 4-AMINOHYDROCINNAMIC ACID | A,B | 2AY1 | 0.7 | ![]() |
2CM![]() | 2-CHLORO-6-METHYL-ANILINE | A | 1OVH | 0.7 | ![]() |
FLM![]() | 3-FLUORO-2-METHYL-ANILINE | A | 1OVJ | 0.79 | ![]() |
IDM![]() | INDOLINE | A,B | 3CEP | 0.71 | ![]() |
IDM![]() | INDOLINE | A | 1AEK | 0.71 | ![]() |
264![]() | (phenylamino)acetonitrile | A | 2RBN | 0.71 | ![]() |
PNZ![]() | P-NITRO-BENZYLAMINE | A,D,H | 2HJ4 | 0.74 | ![]() |
PNZ![]() | P-NITRO-BENZYLAMINE | A,B | 2C70 | 0.74 | ![]() |
5AN![]() | 3,5-DIFLUOROANILINE | A | 1LGX | 0.7 | ![]() |
ANL![]() | ANILINE | A | 2OV4 | 0.75 | ![]() |
ANL![]() | ANILINE | A | 1AEE | 0.75 | ![]() |
ANL![]() | ANILINE | A | 1PPA | 0.75 | ![]() |
ANL![]() | ANILINE | A | 1HJ9 | 0.75 | ![]() |
34A![]() | 3,4-DIMETHYLANILINE | A | 1L4K | 0.86 | ![]() |
APB![]() | M-AMINOPHENYLBORONIC ACID | A,B | 3BLS | 0.73 | ![]() |
AU4![]() | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.78 | ![]() |
TPA![]() | TRANS-2-PHENYLCYCLOPROPYLAMINE | A | 1TNL | 0.71 | ![]() |
PRY![]() | 2-PROPYL-ANILINE | A | 1OWY | 0.84 | ![]() |
ANI![]() | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELE | 0.8 | ![]() |
ANI![]() | 4-TRIFLUOROMETHYLANILINE | E,I | 7EST | 0.8 | ![]() |
ANI![]() | 4-TRIFLUOROMETHYLANILINE | E,I | 2EST | 0.8 | ![]() |
ANI![]() | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELD | 0.8 | ![]() |
TRJ![]() | META-DI(AMINOMETHYL)BENZENE | A,I | 1GVV | 0.71 | ![]() |
TRJ![]() | META-DI(AMINOMETHYL)BENZENE | A | 1FQ5 | 0.71 | ![]() |
ANC![]() | ANTHRACEN-1-YLAMINE | A,B | 1GT1 | 0.81 | ![]() |
ANC![]() | ANTHRACEN-1-YLAMINE | A,B | 1HN2 | 0.81 | ![]() |
ISO![]() | PARA-ISOPROPYLANILINE | A | 1BMA | 0.9 | ![]() |
ISO![]() | PARA-ISOPROPYLANILINE | A,B | 1ELC | 0.9 | ![]() |
ISO![]() | PARA-ISOPROPYLANILINE | A,B | 1ELB | 0.9 | ![]() |
ISO![]() | PARA-ISOPROPYLANILINE | A,B | 1ELA | 0.9 | ![]() |
AFF![]() | 2-ACETYLAMINOFLUORENE-3-YL | A | 2GE2 | 0.74 | ![]() |
BRN![]() | BERENIL | A,B | 268D | 0.77 | ![]() |
BRN![]() | BERENIL | A,B | 1D63 | 0.77 | ![]() |
BRN![]() | BERENIL | A,D,E | 2GBY | 0.77 | ![]() |
BRN![]() | BERENIL | A | 2DBE | 0.77 | ![]() |
BRN![]() | BERENIL | A | 2GVR | 0.77 | ![]() |
MGR![]() | MALACHITE GREEN | A,B | 3BQZ | 0.73 | ![]() |
MGR![]() | MALACHITE GREEN | A | 1Q8N | 0.73 | ![]() |
MGR![]() | MALACHITE GREEN | A,B | 3BR0 | 0.73 | ![]() |
MGR![]() | MALACHITE GREEN | A,D,E | 3BTL | 0.73 | ![]() |
MGR![]() | MALACHITE GREEN | A,B,D,E | 3BTC | 0.73 | ![]() |
MGR![]() | MALACHITE GREEN | A,B,D,E | 1JUP | 0.73 | ![]() |
150![]() | 4,5-DIMETHYL-1,2-PHENYLENEDIAMINE | A | 1L4F | 0.83 | ![]() |
PHZ![]() | 1-PHENYLHYDRAZINE | A | 2E2T | 0.71 | ![]() |
PHZ![]() | 1-PHENYLHYDRAZINE | D,H | 2AGL | 0.71 | ![]() |
DBP![]() | 1,3-DIAMINOBENZYL PHENYLALANINE | A | 1A85 | 0.81 | ![]() |
ASR![]() | 4-AMINOPHENYLARSONIC ACID | A | 1N4F | 0.73 | ![]() |
XYD![]() | 2,5-DIMETHYLANILINE | A,B,C,D | 1KYA | 0.81 | ![]() |
XYD![]() | 2,5-DIMETHYLANILINE | A | 1L4L | 0.81 | ![]() |
9AP![]() | 9-AMINOPHENANTHRENE | A | 1EGY | 0.82 | ![]() |
B2Y![]() | 1-biphenyl-2-ylmethanamine | A,B,C,D | 3CCB | 0.76 | ![]() |
N2M![]() | 5-AMINO-NAPHTALENE-2-MONOSULFONATE | C,D | 1HKN | 0.71 | ![]() |
SBN![]() | 2-AMINO-6-(3,5-DIMETHYLPHENYL)SULFONYLBENZONITRILE | A | 1JLQ | 0.74 | ![]() |
CVI![]() | CRYSTAL VIOLET | A,B,D,E | 1JTX | 0.73 | ![]() |
IXX![]() | 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)- N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q72 | 0.72 | ![]() |
5BM![]() | (2Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrile | A | 3EQH | 0.73 | ![]() |