Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01700230
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 |
ARR![]() | N-(4-{2-[(3-CHLOROBENZYL)AMINO]ETHYL}PHENYL)THIOPHENE- 2-CARBOXIMIDAMIDE | A,B | 1VAF | 0.7 | ![]() |
ARR![]() | N-(4-{2-[(3-CHLOROBENZYL)AMINO]ETHYL}PHENYL)THIOPHENE- 2-CARBOXIMIDAMIDE | A | 1VAG | 0.7 | ![]() |
GP6![]() | 1-(4-AMIDINOPHENYL)-3-(4-CHLOROPHENYL)UREA | A | 1BJU | 0.72 | ![]() |
22M![]() | 2-(2-METHYLPHENYL)-1H-INDOLE-6- CARBOXIMIDAMIDE | A | 2G5V | 0.71 | ![]() |
239![]() | 6-[(Z)-AMINO(IMINO)METHYL]-N-[4- (AMINOMETHYL)PHENYL]-2-NAPHTHAMIDE | A | 1OWH | 0.71 | ![]() |
ZAT![]() | 4,4'-DIACETYLDIPHENYLUREA-BIS(GUANYLHYDRAZONE) | A | 2W0J | 0.73 | ![]() |
DBP![]() | 1,3-DIAMINOBENZYL PHENYLALANINE | A | 1A85 | 0.7 | ![]() |
XYD![]() | 2,5-DIMETHYLANILINE | A,B,C,D | 1KYA | 0.7 | ![]() |
XYD![]() | 2,5-DIMETHYLANILINE | A | 1L4L | 0.7 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | A,B | 2BDG | 0.74 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | A | 1RFN | 0.74 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 2BDI | 0.74 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | A,B,C,D | 2BDH | 0.74 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | A | 1FIZ | 0.74 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | A | 1FIW | 0.74 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | H,L,T | 2A2Q | 0.74 | ![]() |
DSM![]() | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QJU | 0.78 | ![]() |
DSM![]() | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QB4 | 0.78 | ![]() |
AU4![]() | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.78 | ![]() |
DAP![]() | 6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE | A | 1D30 | 0.7 | ![]() |
DAP![]() | 6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE | A | 432D | 0.7 | ![]() |
IXX![]() | 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)- N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q72 | 0.73 | ![]() |
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 | ![]() |
TPM![]() | 2-(4-AMINOBENZYLAMINO)-3,4,5,6- TETRAHYDROPYRIDINIUM | J,K,L | 1F3D | 0.83 | ![]() |
SII![]() | N-(4-{[4-(cyclohexylamino)-1-(3- fluorophenyl)-2-oxo-1,3,8-triazaspiro[4.5]dec- 3-en-8-yl]methyl}phenyl)acetamide | A | 3FKT | 0.73 | ![]() |
14W![]() | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A | 1QWC | 0.71 | ![]() |
14W![]() | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A,B | 1FOI | 0.71 | ![]() |
14W![]() | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A,B | 1QW5 | 0.71 | ![]() |
CVI![]() | CRYSTAL VIOLET | A,B,D,E | 1JTX | 0.74 | ![]() |
RKA![]() | N,N'-(1H-PYRROLE-2,5-DIYLDI-4,1- PHENYLENE)DIBENZENECARBOXIMIDAMIDE | A | 2GYX | 0.71 | ![]() |
PL0![]() | 1-phenylguanidine | A | 2O8W | 0.7 | ![]() |
A8B![]() | A | 1ODC | 0.71 | ![]() | |
UFO![]() | 1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin- 6-yl)methanamine | A,B,D | 3GQT | 0.72 | ![]() |
BRN![]() | BERENIL | A,B | 268D | 0.73 | ![]() |
BRN![]() | BERENIL | A,B | 1D63 | 0.73 | ![]() |
BRN![]() | BERENIL | A,D,E | 2GBY | 0.73 | ![]() |
BRN![]() | BERENIL | A | 2DBE | 0.73 | ![]() |
BRN![]() | BERENIL | A | 2GVR | 0.73 | ![]() |
IDM![]() | INDOLINE | A,B | 3CEP | 0.72 | ![]() |
IDM![]() | INDOLINE | A | 1AEK | 0.72 | ![]() |