Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00789921
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 |
12Q | 1-METHYLQUINOLIN-2(1H)-ONE | A,B | 2F64 | 0.7 | |
D16 | TOMUDEX | A,B | 1I00 | 0.74 | |
D16 | TOMUDEX | A,B | 2KCE | 0.74 | |
D16 | TOMUDEX | A,B,C,D | 2TSR | 0.74 | |
D16 | TOMUDEX | A,B,C,D | 1HVY | 0.74 | |
D16 | TOMUDEX | A,B | 1RTS | 0.74 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1KCE | 0.75 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1NCE | 0.75 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D,E,F | 1KZJ | 0.75 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | X | 2FTO | 0.75 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1TRG | 0.75 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 2TSC | 0.75 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1TVU | 0.75 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1TVV | 0.75 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1FWM | 0.75 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1BQ1 | 0.75 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D,E | 3DL5 | 0.75 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1AIQ | 0.75 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1DDU | 0.75 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D,E | 1QZF | 0.75 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1TDU | 0.75 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1VZE | 0.75 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 2G8M | 0.75 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D,E | 2OIP | 0.75 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1CI7 | 0.75 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1DNA | 0.75 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1LCA | 0.75 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1VZD | 0.75 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1ZPR | 0.75 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 2AAZ | 0.75 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 2G8O | 0.75 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1TVW | 0.75 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D,E | 3DL6 | 0.75 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1AN5 | 0.75 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D | 2BFA | 0.75 | |
303 | 6-[(Z)-AMINO(IMINO)METHYL]-N-(1- ISOPROPYL-1,2,3,4-TETRAHYDROISOQUINOLIN- 7-YL)-2-NAPHTHAMIDE | A | 1OWK | 0.7 | |
AN9 | 1,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE- 9,10-DIONE | A,B | 1XCU | 0.76 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A | 1U1J | 0.73 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 2OGY | 0.73 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 1XPG | 0.73 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 1TLS | 0.73 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B,C | 1ZP4 | 0.73 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 2E7F | 0.73 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A | 1TSN | 0.73 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 2IDK | 0.73 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 1XR2 | 0.73 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A | 1B02 | 0.73 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 1Q8J | 0.73 | |
4PG | 1-[4-(2-oxo-2-phenylethyl)phenyl]guanidine | U | 2R2W | 0.72 | |
675 | 6-[(Z)-AMINO(IMINO)METHYL]-N-PHENYL- 2-NAPHTHAMIDE | A | 1OWE | 0.7 | |
8AD | 9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE- 4-CARBOXAMIDE | A,B | 1FN2 | 0.7 | |
8AD | 9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE- 4-CARBOXAMIDE | A,B | 1FN1 | 0.7 | |
BHB | 2,6-DIAMINO-8-(2-DIMETHYLAMINOETHYLSULFANYLMETHYL)- 3H-QUINAZOLIN-4-ONE | A | 1Q65 | 0.83 | |
APQ | 2,6-DIAMINO-8-PROPYLSULFANYLMETHYL- 3H-QUINAZOLINE-4-ONE | A | 1K4H | 0.81 | |
38M | 3-(3-chlorophenyl)-2-({(1S)-1-[(6S)- 2,8-diazaspiro[5.5]undec-2-ylcarbonyl]pentyl}sulfanyl)quinazolin- 4(3H)-one | A | 3F9N | 0.85 | |
CRI | A,B | 1VKG | 0.71 | ||
155 | 6-[(Z)-AMINO(IMINO)METHYL]-N-(1- ISOPROPYL-3,4-DIHYDROISOQUINOLIN- 7-YL)-2-NAPHTHAMIDE | A | 1OWJ | 0.74 | |
239 | 6-[(Z)-AMINO(IMINO)METHYL]-N-[4- (AMINOMETHYL)PHENYL]-2-NAPHTHAMIDE | A | 1OWH | 0.73 | |
7AD | 9-AMINO-N-[3-(DIMETHYLAMINO)PROPYL]ACRIDINE- 4-CARBOXAMIDE | A,B | 1RQY | 0.7 | |
AQO | 2-AMINOQUINAZOLIN-4(3H)-ONE | A | 1S39 | 0.78 | |
497 | 6-[AMINO(IMINO)METHYL]-N-[(4R)- 4-ETHYL-1,2,3,4-TETRAHYDROISOQUINOLIN- 6-YL]-2-NAPHTHAMIDE | A | 1OWD | 0.71 | |
BW2 | N-(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN- 6-YL)AMINO]SULFONYL}BENZOYL)GLUTAMIC ACID | A,B,C,D | 1PL0 | 0.72 |