Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02826026
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 |
AHC | 4-AMINOHYDROCINNAMIC ACID | A,B | 2AY1 | 0.72 | |
PRY | 2-PROPYL-ANILINE | A | 1OWY | 0.86 | |
U13 | 4-(4-FLUORO-PHENYLAZO)-5-IMINO- 5H-PYRAZOL-3-YLAMINE | A | 2GG3 | 0.7 | |
UA5 | (4-ETHYLPHENYL)SULFAMIC ACID | A,B | 2I5X | 0.81 | |
150 | 4,5-DIMETHYL-1,2-PHENYLENEDIAMINE | A | 1L4F | 0.85 | |
IS2 | [(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID | A | 1O4J | 0.72 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,C | 2AOI | 0.7 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOF | 0.7 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOJ | 0.7 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOH | 0.7 | |
DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QJU | 0.75 | |
DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QB4 | 0.75 | |
9AP | 9-AMINOPHENANTHRENE | A | 1EGY | 0.84 | |
EBW | 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}- 3-OXOPENTYL)-N,N-DIMETHYL-N-PROP- 2-ENYLBENZENAMINIUM | A | 1E3Q | 0.7 | |
TFM | S-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREA | A,B | 1K2U | 0.75 | |
263 | 1-(azidomethyl)-3-methylbenzene | X | 2RB2 | 0.7 | |
TRJ | META-DI(AMINOMETHYL)BENZENE | A,I | 1GVV | 0.73 | |
TRJ | META-DI(AMINOMETHYL)BENZENE | A | 1FQ5 | 0.73 | |
B2Y | 1-biphenyl-2-ylmethanamine | A,B,C,D | 3CCB | 0.78 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELE | 0.86 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 7EST | 0.86 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 2EST | 0.86 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELD | 0.86 | |
5AN | 3,5-DIFLUOROANILINE | A | 1LGX | 0.78 | |
N2M | 5-AMINO-NAPHTALENE-2-MONOSULFONATE | C,D | 1HKN | 0.72 | |
PEA | 2-PHENYLETHYLAMINE | A,B,E,F,G,H | 1MHW | 0.7 | |
PEA | 2-PHENYLETHYLAMINE | A | 1TNJ | 0.7 | |
PEA | 2-PHENYLETHYLAMINE | D,H | 2HKM | 0.7 | |
PEA | 2-PHENYLETHYLAMINE | A | 1UTO | 0.7 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6Y | 0.7 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6Z | 0.7 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6U | 0.7 | |
PEA | 2-PHENYLETHYLAMINE | A | 1UTM | 0.7 | |
APB | M-AMINOPHENYLBORONIC ACID | A,B | 3BLS | 0.75 | |
AFF | 2-ACETYLAMINOFLUORENE-3-YL | A | 2GE2 | 0.76 | |
PHZ | 1-PHENYLHYDRAZINE | A | 2E2T | 0.73 | |
PHZ | 1-PHENYLHYDRAZINE | D,H | 2AGL | 0.73 | |
U12 | 5-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)- 5H-PYRAZOL-3-YLAMINE | A | 2GG2 | 0.74 | |
FBA | 4-FLUOROBENZYLAMINE | B,D,E | 1AFQ | 0.74 | |
FBA | 4-FLUOROBENZYLAMINE | A | 1TNH | 0.74 | |
TPA | TRANS-2-PHENYLCYCLOPROPYLAMINE | A | 1TNL | 0.71 | |
FLM | 3-FLUORO-2-METHYL-ANILINE | A | 1OVJ | 0.87 | |
IXX | 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)- N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q72 | 0.73 | |
267 | 1-(azidomethyl)-3-methylbenzene | A | 2RBQ | 0.7 | |
MGR | MALACHITE GREEN | A,B | 3BQZ | 0.74 | |
MGR | MALACHITE GREEN | A | 1Q8N | 0.74 | |
MGR | MALACHITE GREEN | A,B | 3BR0 | 0.74 | |
MGR | MALACHITE GREEN | A,D,E | 3BTL | 0.74 | |
MGR | MALACHITE GREEN | A,B,D,E | 3BTC | 0.74 | |
MGR | MALACHITE GREEN | A,B,D,E | 1JUP | 0.74 | |
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 | |
AU4 | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.8 | |
PNZ | P-NITRO-BENZYLAMINE | A,D,H | 2HJ4 | 0.76 | |
PNZ | P-NITRO-BENZYLAMINE | A,B | 2C70 | 0.76 | |
ASR | 4-AMINOPHENYLARSONIC ACID | A | 1N4F | 0.75 | |
BRN | BERENIL | A,B | 268D | 0.78 | |
BRN | BERENIL | A,B | 1D63 | 0.78 | |
BRN | BERENIL | A,D,E | 2GBY | 0.78 | |
BRN | BERENIL | A | 2DBE | 0.78 | |
BRN | BERENIL | A | 2GVR | 0.78 | |
ANL | ANILINE | A | 2OV4 | 0.76 | |
ANL | ANILINE | A | 1AEE | 0.76 | |
ANL | ANILINE | A | 1PPA | 0.76 | |
ANL | ANILINE | A | 1HJ9 | 0.76 | |
3AB | 3-aminobenzamide | A,B,C,D | 3GOY | 0.71 | |
5NS | 5-aminonaphthalene-1-sulfonic acid | A,B | 3CFT | 0.72 | |
2CM | 2-CHLORO-6-METHYL-ANILINE | A | 1OVH | 0.71 | |
XYD | 2,5-DIMETHYLANILINE | A,B,C,D | 1KYA | 0.83 | |
XYD | 2,5-DIMETHYLANILINE | A | 1L4L | 0.83 | |
TPM | 2-(4-AMINOBENZYLAMINO)-3,4,5,6- TETRAHYDROPYRIDINIUM | J,K,L | 1F3D | 0.71 | |
CVI | CRYSTAL VIOLET | A,B,D,E | 1JTX | 0.74 | |
PO0 | 1-BENZYL-(R)-PROPYLAMINE | A,I | 1LZQ | 0.7 | |
PO0 | 1-BENZYL-(R)-PROPYLAMINE | B,I | 1M0B | 0.7 | |
DBP | 1,3-DIAMINOBENZYL PHENYLALANINE | A | 1A85 | 0.83 | |
BSU | 1,3-DIPHENYLUREA | A | 3E85 | 0.7 | |
BSU | 1,3-DIPHENYLUREA | A | 2ZJF | 0.7 | |
ABN | BENZYLAMINE | D,H | 2HXC | 0.7 | |
ABN | BENZYLAMINE | A,I | 1A86 | 0.7 | |
ABN | BENZYLAMINE | A | 1UTN | 0.7 | |
ABN | BENZYLAMINE | A | 1N6X | 0.7 | |
ABN | BENZYLAMINE | A | 2BZA | 0.7 | |
ABN | BENZYLAMINE | A | 2EUS | 0.7 | |
ABN | BENZYLAMINE | A | 1N6Y | 0.7 | |
ABN | BENZYLAMINE | A | 1UTJ | 0.7 | |
ANC | ANTHRACEN-1-YLAMINE | A,B | 1GT1 | 0.82 | |
ANC | ANTHRACEN-1-YLAMINE | A,B | 1HN2 | 0.82 | |
PBZ | P-AMINO BENZAMIDINE | A,B | 2BDG | 0.8 | |
PBZ | P-AMINO BENZAMIDINE | A | 1RFN | 0.8 | |
PBZ | P-AMINO BENZAMIDINE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 2BDI | 0.8 | |
PBZ | P-AMINO BENZAMIDINE | A,B,C,D | 2BDH | 0.8 | |
PBZ | P-AMINO BENZAMIDINE | A | 1FIZ | 0.8 | |
PBZ | P-AMINO BENZAMIDINE | A | 1FIW | 0.8 | |
PBZ | P-AMINO BENZAMIDINE | H,L,T | 2A2Q | 0.8 | |
3NT | 3-NITROTOLUENE | A,B | 2BMR | 0.71 | |
3NT | 3-NITROTOLUENE | A,B | 2HMO | 0.71 | |
U19 | 5-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)- 5H-PYRAZOL-3-YLAMINE | A | 2GG5 | 0.74 | |
34A | 3,4-DIMETHYLANILINE | A | 1L4K | 0.88 | |
IDM | INDOLINE | A,B | 3CEP | 0.72 | |
IDM | INDOLINE | A | 1AEK | 0.72 | |
1AN | 2-FLUOROANILINE | A | 1LGW | 0.8 |