Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03923959
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 |
UA5 | (4-ETHYLPHENYL)SULFAMIC ACID | A,B | 2I5X | 0.71 | |
PRY | 2-PROPYL-ANILINE | A | 1OWY | 0.78 | |
N2M | 5-AMINO-NAPHTALENE-2-MONOSULFONATE | C,D | 1HKN | 0.75 | |
MNS | 5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONAMIDE | A | 1OKL | 0.72 | |
ANC | ANTHRACEN-1-YLAMINE | A,B | 1GT1 | 0.91 | |
ANC | ANTHRACEN-1-YLAMINE | A,B | 1HN2 | 0.91 | |
AU4 | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.72 | |
AN3 | ANTHRACENE | A,B | 2HMN | 0.71 | |
AN3 | ANTHRACENE | A,B | 2HMM | 0.71 | |
2AN | 1-ANILINO-8-NAPHTHALENE SULFONATE | A,B | 3CFN | 0.73 | |
2AN | 1-ANILINO-8-NAPHTHALENE SULFONATE | A,B | 2ANS | 0.73 | |
2AN | 1-ANILINO-8-NAPHTHALENE SULFONATE | A,B | 1OW4 | 0.73 | |
2AN | 1-ANILINO-8-NAPHTHALENE SULFONATE | A | 1EYN | 0.73 | |
2AN | 1-ANILINO-8-NAPHTHALENE SULFONATE | A,B | 1TXC | 0.73 | |
XYD | 2,5-DIMETHYLANILINE | A,B,C,D | 1KYA | 0.78 | |
XYD | 2,5-DIMETHYLANILINE | A | 1L4L | 0.78 | |
ANS | 5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID) | H,J | 1CVW | 0.71 | |
ANS | 5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID) | H,I | 1A4W | 0.71 | |
ANS | 5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID) | H,I | 1FPC | 0.71 | |
3NT | 3-NITROTOLUENE | A,B | 2BMR | 0.7 | |
3NT | 3-NITROTOLUENE | A,B | 2HMO | 0.7 | |
150 | 4,5-DIMETHYL-1,2-PHENYLENEDIAMINE | A | 1L4F | 0.77 | |
PEY | PHENANTHRENE | A,B | 2HML | 0.71 | |
PEY | PHENANTHRENE | A,B | 2HMK | 0.71 | |
CVI | CRYSTAL VIOLET | A,B,D,E | 1JTX | 0.72 | |
FLM | 3-FLUORO-2-METHYL-ANILINE | A | 1OVJ | 0.74 | |
DR1 | 5-METHYL-5H-INDOLO[3,2-B]QUINOLINE | A | 1K9G | 0.7 | |
BRN | BERENIL | A,B | 268D | 0.7 | |
BRN | BERENIL | A,B | 1D63 | 0.7 | |
BRN | BERENIL | A,D,E | 2GBY | 0.7 | |
BRN | BERENIL | A | 2DBE | 0.7 | |
BRN | BERENIL | A | 2GVR | 0.7 | |
DBP | 1,3-DIAMINOBENZYL PHENYLALANINE | A | 1A85 | 0.76 | |
34A | 3,4-DIMETHYLANILINE | A | 1L4K | 0.8 | |
5NS | 5-aminonaphthalene-1-sulfonic acid | A,B | 3CFT | 0.75 | |
MGR | MALACHITE GREEN | A,B | 3BQZ | 0.72 | |
MGR | MALACHITE GREEN | A | 1Q8N | 0.72 | |
MGR | MALACHITE GREEN | A,B | 3BR0 | 0.72 | |
MGR | MALACHITE GREEN | A,D,E | 3BTL | 0.72 | |
MGR | MALACHITE GREEN | A,B,D,E | 3BTC | 0.72 | |
MGR | MALACHITE GREEN | A,B,D,E | 1JUP | 0.72 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELE | 0.71 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 7EST | 0.71 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 2EST | 0.71 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELD | 0.71 | |
B2Y | 1-biphenyl-2-ylmethanamine | A,B,C,D | 3CCB | 0.71 | |
ISO | PARA-ISOPROPYLANILINE | A | 1BMA | 0.76 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELC | 0.76 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELB | 0.76 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELA | 0.76 | |
9AP | 9-AMINOPHENANTHRENE | A | 1EGY | 0.9 | |
IXX | 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)- N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q72 | 0.72 | |
DSY | 5-(DIMETHYLAMINO)-2-NAPHTHALENESULFONIC ACID | C,D | 1BDA | 0.71 | |
745 | TRANS-6-(2-PHENYLCYCLOPROPYL)-NAPHTHALENE- 2-CARBOXAMIDINE | A | 1U6Q | 0.71 |