Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02248155
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 |
CXX![]() | 3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q6H | 0.8 | ![]() |
CXX![]() | 3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N,N-DIMETHYLPROPAN-1-AMINE | A | 2QEI | 0.8 | ![]() |
150![]() | 4,5-DIMETHYL-1,2-PHENYLENEDIAMINE | A | 1L4F | 0.75 | ![]() |
NP1![]() | N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE | A | 1WUG | 0.74 | ![]() |
AU4![]() | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.92 | ![]() |
DCU![]() | A,B | 1J07 | 0.7 | ![]() | |
468![]() | (3S)-N-(3-CHLORO-2-METHYLPHENYL)- 1-CYCLOHEXYL-5-OXOPYRROLIDINE-3- CARBOXAMIDE | A | 2H7P | 0.7 | ![]() |
LGD![]() | 6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]- 4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)- ONE | A | 2HVC | 0.72 | ![]() |
SC5![]() | 2-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)- 1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE- 1,1-DIOL | H | 1YNK | 0.75 | ![]() |
12Q![]() | 1-METHYLQUINOLIN-2(1H)-ONE | A,B | 2F64 | 0.73 | ![]() |
ANC![]() | ANTHRACEN-1-YLAMINE | A,B | 1GT1 | 0.73 | ![]() |
ANC![]() | ANTHRACEN-1-YLAMINE | A,B | 1HN2 | 0.73 | ![]() |
9AP![]() | 9-AMINOPHENANTHRENE | A | 1EGY | 0.74 | ![]() |
IXX![]() | 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)- N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q72 | 0.88 | ![]() |
GA0![]() | GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDE | A | 2DCM | 0.71 | ![]() |
744![]() | (3S)-N-(5-CHLORO-2-METHYLPHENYL)- 1-CYCLOHEXYL-5-OXOPYRROLIDINE-3- CARBOXAMIDE | A | 2H7N | 0.7 | ![]() |
34A![]() | 3,4-DIMETHYLANILINE | A | 1L4K | 0.77 | ![]() |
MM0![]() | N,N'-(dibenzo[b,j][1,7]phenanthroline- 2,10-diyldimethanediyl)dipropan- 1-amine | B | 2JWQ | 0.7 | ![]() |
OCH![]() | QUINOLIN-2(1H)-ONE | A,B,C,D,E,F | 1Z03 | 0.71 | ![]() |
IS2![]() | [(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID | A | 1O4J | 0.75 | ![]() |
XYD![]() | 2,5-DIMETHYLANILINE | A,B,C,D | 1KYA | 0.77 | ![]() |
XYD![]() | 2,5-DIMETHYLANILINE | A | 1L4L | 0.77 | ![]() |
566![]() | (3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE- 3-CARBOXAMIDE | A | 2H7I | 0.71 | ![]() |
IDM![]() | INDOLINE | A,B | 3CEP | 0.79 | ![]() |
IDM![]() | INDOLINE | A | 1AEK | 0.79 | ![]() |
4PG![]() | 1-[4-(2-oxo-2-phenylethyl)phenyl]guanidine | U | 2R2W | 0.7 | ![]() |
ANI![]() | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELE | 0.72 | ![]() |
ANI![]() | 4-TRIFLUOROMETHYLANILINE | E,I | 7EST | 0.72 | ![]() |
ANI![]() | 4-TRIFLUOROMETHYLANILINE | E,I | 2EST | 0.72 | ![]() |
ANI![]() | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELD | 0.72 | ![]() |
UFO![]() | 1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin- 6-yl)methanamine | A,B,D | 3GQT | 0.79 | ![]() |
DSY![]() | 5-(DIMETHYLAMINO)-2-NAPHTHALENESULFONIC ACID | C,D | 1BDA | 0.7 | ![]() |
MNS![]() | 5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONAMIDE | A | 1OKL | 0.73 | ![]() |
PRL![]() | PROFLAVIN | H,I | 1BCU | 0.72 | ![]() |
PRL![]() | PROFLAVIN | A,B,D,E | 1QVT | 0.72 | ![]() |
PRL![]() | PROFLAVIN | A,B | 2KD4 | 0.72 | ![]() |
PRL![]() | PROFLAVIN | A | 1QVU | 0.72 | ![]() |
DR1![]() | 5-METHYL-5H-INDOLO[3,2-B]QUINOLINE | A | 1K9G | 0.8 | ![]() |
TPM![]() | 2-(4-AMINOBENZYLAMINO)-3,4,5,6- TETRAHYDROPYRIDINIUM | J,K,L | 1F3D | 0.72 | ![]() |
DBP![]() | 1,3-DIAMINOBENZYL PHENYLALANINE | A | 1A85 | 0.75 | ![]() |
AGB![]() | N-(1-ADAMANTYL)-N'-(4-GUANIDINOBENZYL)UREA | A | 1EJN | 0.7 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 1JT6 | 0.7 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 3BR2 | 0.7 | ![]() |
DEQ![]() | DEQUALINIUM | A | 1OYD | 0.7 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 3BT9 | 0.7 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 3BTJ | 0.7 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 3BR1 | 0.7 | ![]() |
PRM![]() | 3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]- 6-PHENYLPHENANTHRIDINIUM | A,B | 1N5R | 0.71 | ![]() |
GEP![]() | N-METHYL-N-(PARA-GLUTARAMIDOPHENYL- ETHYL)-PIPERIDINIUM ION | L | 25C8 | 0.71 | ![]() |
SN8![]() | 1,6-DIMETHYL-4-(4-(4-(1-METHYLPYRIDINIUM- 4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM | A,B | 1ZPH | 0.7 | ![]() |
NYL![]() | N-ALLYL-ANILINE | A | 1OVK | 0.74 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | A,B | 2BDG | 0.71 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | A | 1RFN | 0.71 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 2BDI | 0.71 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | A,B,C,D | 2BDH | 0.71 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | A | 1FIZ | 0.71 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | A | 1FIW | 0.71 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | H,L,T | 2A2Q | 0.71 | ![]() |
DSM![]() | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QJU | 0.9 | ![]() |
DSM![]() | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QB4 | 0.9 | ![]() |
PRY![]() | 2-PROPYL-ANILINE | A | 1OWY | 0.79 | ![]() |
FLM![]() | 3-FLUORO-2-METHYL-ANILINE | A | 1OVJ | 0.75 | ![]() |
TSN![]() | TRICHOSTATIN A | A,B | 1T64 | 0.73 | ![]() |
TSN![]() | TRICHOSTATIN A | A,B | 1C3R | 0.73 | ![]() |
TSN![]() | TRICHOSTATIN A | A,B,C | 3F0R | 0.73 | ![]() |
TSN![]() | TRICHOSTATIN A | A,B,C | 3C10 | 0.73 | ![]() |
BEP![]() | 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE | C | 1LXF | 0.74 | ![]() |
BEP![]() | 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE | A | 1DTL | 0.74 | ![]() |
264![]() | (phenylamino)acetonitrile | A | 2RBN | 0.74 | ![]() |
CVI![]() | CRYSTAL VIOLET | A,B,D,E | 1JTX | 0.86 | ![]() |
SU2![]() | 3-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYLIDENYL]- 2-INDOLINONE | A,B | 1AGW | 0.71 | ![]() |
760![]() | 9-(3-PHENYLMETHYLAMINO)-1,2,3,4- TETRAHYDROACRIDINE | A | 1DX4 | 0.7 | ![]() |
1PC![]() | 1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE | B,C | 2PCP | 0.71 | ![]() |
AFF![]() | 2-ACETYLAMINOFLUORENE-3-YL | A | 2GE2 | 0.77 | ![]() |
UA5![]() | (4-ETHYLPHENYL)SULFAMIC ACID | A,B | 2I5X | 0.73 | ![]() |
EBW![]() | 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}- 3-OXOPENTYL)-N,N-DIMETHYL-N-PROP- 2-ENYLBENZENAMINIUM | A | 1E3Q | 0.81 | ![]() |
ZAT![]() | 4,4'-DIACETYLDIPHENYLUREA-BIS(GUANYLHYDRAZONE) | A | 2W0J | 0.71 | ![]() |
BSU![]() | 1,3-DIPHENYLUREA | A | 3E85 | 0.72 | ![]() |
BSU![]() | 1,3-DIPHENYLUREA | A | 2ZJF | 0.72 | ![]() |
A8B![]() | A | 1ODC | 0.76 | ![]() | |
ANS![]() | 5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID) | H,J | 1CVW | 0.7 | ![]() |
ANS![]() | 5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID) | H,I | 1A4W | 0.7 | ![]() |
ANS![]() | 5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID) | H,I | 1FPC | 0.7 | ![]() |
1MR![]() | N-METHYLANILINE | X | 2OTZ | 0.76 | ![]() |
MGR![]() | MALACHITE GREEN | A,B | 3BQZ | 0.86 | ![]() |
MGR![]() | MALACHITE GREEN | A | 1Q8N | 0.86 | ![]() |
MGR![]() | MALACHITE GREEN | A,B | 3BR0 | 0.86 | ![]() |
MGR![]() | MALACHITE GREEN | A,D,E | 3BTL | 0.86 | ![]() |
MGR![]() | MALACHITE GREEN | A,B,D,E | 3BTC | 0.86 | ![]() |
MGR![]() | MALACHITE GREEN | A,B,D,E | 1JUP | 0.86 | ![]() |
ISO![]() | PARA-ISOPROPYLANILINE | A | 1BMA | 0.79 | ![]() |
ISO![]() | PARA-ISOPROPYLANILINE | A,B | 1ELC | 0.79 | ![]() |
ISO![]() | PARA-ISOPROPYLANILINE | A,B | 1ELB | 0.79 | ![]() |
ISO![]() | PARA-ISOPROPYLANILINE | A,B | 1ELA | 0.79 | ![]() |