Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02465988
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 |
MMP | N-METHYLMESOPORPHYRIN | A,B,C,D | 3FCT | 0.7 | |
MMP | N-METHYLMESOPORPHYRIN | L | 1N7M | 0.7 | |
MMP | N-METHYLMESOPORPHYRIN | B,H | 1NGW | 0.7 | |
MMP | N-METHYLMESOPORPHYRIN | A | 1C1H | 0.7 | |
TZ5 | 3,8-DIAMINO-6-PHENYL-5-[6-[1-[2- [(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]- 1H-1,2,3-TRIAZOL-5-YL]HEXYL]-PHENANTHRIDINIUM | A,B | 1Q83 | 0.71 | |
9CA | 9H-CARBAZOLE | A,B,C,D,E,F | 2DE7 | 0.72 | |
DEQ | DEQUALINIUM | A,B,D,E | 1JT6 | 0.71 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BR2 | 0.71 | |
DEQ | DEQUALINIUM | A | 1OYD | 0.71 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BT9 | 0.71 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BTJ | 0.71 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BR1 | 0.71 | |
LL1 | 3-pyridin-4-yl-1H-indazole | A | 3DNE | 0.7 | |
LTN | L-TRYPTOPHANAMIDE | A | 1MAU | 0.71 | |
LTN | L-TRYPTOPHANAMIDE | A,B | 2QUI | 0.71 | |
275 | 5-amino-1,2-dimethylpyridinium | X | 2RBW | 0.72 | |
BIM | BIS-(INDOLE)MALEIMIDE PYRIDINOPHANE | A,B | 2OW3 | 0.71 | |
IP6 | N~3~-[3-(1H-INDOL-6-YL)BENZYL]PYRIDINE- 2,3-DIAMINE | A | 2OHT | 0.74 | |
P83 | 1-(9-ethyl-9H-carbazol-3-yl)-N- methylmethanamine | A,B | 2VUK | 0.74 | |
TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | A,B,D,H | 2IUQ | 0.77 | |
TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | A,B | 2FPB | 0.77 | |
TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | D,H | 2AGW | 0.77 | |
TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | A | 2PQL | 0.77 | |
PDS | 3-{1-[3-(DIMETHYLAMINO)PROPYL]- 2-METHYL-1H-INDOL-3-YL}-4-(2-METHYL- 1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE | A,B | 2I0E | 0.73 | |
POH | 5,10,15,20-TETRA-(4-N-METHYLPYRIDYL) PORPHINE | A | 2HRI | 0.8 | |
POH | 5,10,15,20-TETRA-(4-N-METHYLPYRIDYL) PORPHINE | A | 2A5R | 0.8 | |
BI4 | 3-(1H-INDOL-3-YL)-4-{1-[2-(1-METHYLPYRROLIDIN- 2-YL)ETHYL]-1H-INDOL-3-YL}-1H-PYRROLE- 2,5-DIONE | A,B | 1SZM | 0.75 | |
BI8 | 3-[1-(3-AMINOPROPYL)-1H-INDOL-3- YL]-4-(1-METHYL-1H-INDOL-3-YL)- 1H-PYRROLE-2,5-DIONE | A,B | 2VD5 | 0.74 | |
BI8 | 3-[1-(3-AMINOPROPYL)-1H-INDOL-3- YL]-4-(1-METHYL-1H-INDOL-3-YL)- 1H-PYRROLE-2,5-DIONE | A | 1UVR | 0.74 | |
NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R, S,T | 1UW6 | 0.71 | |
NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P2Y | 0.71 | |
NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P7R | 0.71 | |
BI2 | 3-(1H-INDOL-3-YL)-4-(1-{2-[(2S)- 1-METHYLPYRROLIDINYL]ETHYL}-1H- INDOL-3-YL)-1H-PYRROLE-2,5-DIONE | A | 1UU7 | 0.75 | |
TSR | 2-(1H-INDOL-3-YL)ACETAMIDE | D,H | 2OJY | 0.71 | |
TSR | 2-(1H-INDOL-3-YL)ACETAMIDE | A,D,H | 2OIZ | 0.71 | |
2PT | 1-[2-(ACRIDIN-9-YLAMINO)ETHYL]- 1,3-DIMETHYLTHIOUREA-PLATINUM(II)- ETHANE-1,2-DIAMINE | B | 1XRW | 0.7 | |
R1C | bis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)[chrysene- 5,6-diiminato(2-)-kappa~2~N,N']rhodium(4+) | A | 2O1I | 0.71 | |
R1C | bis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)[chrysene- 5,6-diiminato(2-)-kappa~2~N,N']rhodium(4+) | A,B | 3GSK | 0.71 | |
R1C | bis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)[chrysene- 5,6-diiminato(2-)-kappa~2~N,N']rhodium(4+) | A | 3GSJ | 0.71 | |
047 | 1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)- 1H-INDOL-3-YL]METHYL}METHANAMINE | A,B | 2PJL | 0.76 | |
L12 | 3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE | A | 1W84 | 0.78 | |
2MI | 2-METHYL-1H-INDOLE | A | 2PIO | 0.71 | |
PRM | 3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]- 6-PHENYLPHENANTHRIDINIUM | A,B | 1N5R | 0.71 | |
DCU | A,B | 1J07 | 0.71 | ||
MIB | (3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT- 3-EN-2-ONE | A | 1ZS5 | 0.7 | |
BI1 | 3-{1-[3-(DIMETHYLAMINO)PROPYL]- 1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)- 1H-PYRROLE-2,5-DIONE | A | 1XWS | 0.76 | |
BI1 | 3-{1-[3-(DIMETHYLAMINO)PROPYL]- 1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)- 1H-PYRROLE-2,5-DIONE | B | 2BIK | 0.76 | |
BI1 | 3-{1-[3-(DIMETHYLAMINO)PROPYL]- 1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)- 1H-PYRROLE-2,5-DIONE | A | 1ZRZ | 0.76 | |
BI1 | 3-{1-[3-(DIMETHYLAMINO)PROPYL]- 1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)- 1H-PYRROLE-2,5-DIONE | B | 2BIL | 0.76 | |
BI1 | 3-{1-[3-(DIMETHYLAMINO)PROPYL]- 1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)- 1H-PYRROLE-2,5-DIONE | A | 1UU8 | 0.76 | |
6IP | 6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN- 2-AMINE | A | 2OHP | 0.72 | |
517 | 1-{2-OXO-3-[(1R)-1-(1H-PYRROL-2- YL)ETHYL]-2H-INDOL-5-YL}UREA | A | 2PE1 | 0.7 | |
FPH | 3-(4-FLUOROPHENYL)-2-PYRIDIN-4- YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL | A | 1OZ1 | 0.7 | |
A8N | N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)- 1,8-DIAMINOOCTANE | A | 1UT6 | 0.7 | |
MDL | [DEHYDROXY-N-METHYL-TYROSYL-PROLINYL]- [4,4,5,5,5-PENTAFLUORO-3-OXY-1- [3-INDOLYL]-PENT-2-YL]AMINE | H,I | 1AD8 | 0.7 | |
NPM | N-[(1E)-PYRIDIN-2-YLMETHYLENE]- N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE | A,B | 2ET0 | 0.7 | |
LY4 | (9R)-9-[(DIMETHYLAMINO)METHYL]- 6,7,10,11-TETRAHYDRO-9H,18H-5,21:12,17- DIMETHENODIBENZO[E,K]PYRROLO[3,4- H][1,4,13]OXADIAZACYCLOHEXADECINE- 18,20-DIONE | B | 2J2I | 0.7 | |
LY4 | (9R)-9-[(DIMETHYLAMINO)METHYL]- 6,7,10,11-TETRAHYDRO-9H,18H-5,21:12,17- DIMETHENODIBENZO[E,K]PYRROLO[3,4- H][1,4,13]OXADIAZACYCLOHEXADECINE- 18,20-DIONE | A | 1UU3 | 0.7 | |
TZ4 | 3,8-DIAMINO-6-PHENYL-5-[6-[1-[2- [(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]- 1H-1,2,3-TRIAZOL-4-YL]HEXYL]-PHENANTHRIDINIUM | A,B | 1Q84 | 0.72 | |
SFP | 5,10,15,20-TETRAKIS(4-SULPFONATOPHENYL)- 21H,23H-PORPHINE | A,B,C,D | 1RIR | 0.71 | |
SFP | 5,10,15,20-TETRAKIS(4-SULPFONATOPHENYL)- 21H,23H-PORPHINE | A | 1PXD | 0.71 | |
SFP | 5,10,15,20-TETRAKIS(4-SULPFONATOPHENYL)- 21H,23H-PORPHINE | A,B,C,D | 1RIT | 0.71 | |
SFP | 5,10,15,20-TETRAKIS(4-SULPFONATOPHENYL)- 21H,23H-PORPHINE | P | 1JN2 | 0.71 | |
RBU | A,B | 1BEX | 0.71 | ||
11X | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.72 | |
TSH | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AGY | 0.77 | |
TSH | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AH0 | 0.77 | |
TSH | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AGX | 0.77 | |
BI3 | 3-[1-(3-AMINOPROPYL)-1H-INDOL-3- YL]-4-(1H-INDOL-3-YL)-1H-PYRROLE- 2,5-DIONE | A | 1UU9 | 0.75 | |
IND | INDOLE | A | 1L4H | 0.76 | |
IND | INDOLE | A,B,G | 1O7N | 0.76 | |
IND | INDOLE | A | 185L | 0.76 | |
IND | INDOLE | A,B | 1EG9 | 0.76 | |
IND | INDOLE | A,B | 1UUV | 0.76 | |
IND | INDOLE | A,C,E | 2B24 | 0.76 | |
IND | INDOLE | A,B,C,D,E,F | 2P85 | 0.76 |