Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02491582
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 |
C24 | 3-({2-[(4-CARBAMIMIDOYL-PHENYLAMINO)- METHYL]-3-METHYL-3H-BENZOIMIDAZOLE- 5-CARBONYL}-PYRIDIN-2-YL-AMINO)- PROPIONIC ACID ETHYL ESTER | B,C | 1KTS | 0.74 | |
YBH | 4-OXO-3-{6-[4-(QUINOXALIN-2-YLOXY)- BENZOYLAMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}- BUTYRIC ACID | A | 1RWX | 0.72 | |
COP | N-(4-CARBOXY-4-{4-[(2,4-DIAMINO- PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}- BUTYL)-PHTHALAMIC ACID | A | 1OHJ | 0.71 | |
COP | N-(4-CARBOXY-4-{4-[(2,4-DIAMINO- PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}- BUTYL)-PHTHALAMIC ACID | A | 1OHK | 0.71 | |
L34 | 4-(7-AMINO-9-HYDROXY-1-OXO-3,3A,4,5- TETRAHYDRO-2,5,6,8,9B-PENTAAZA- CYCLOPENTA[A]NAPHTHALEN-2-YL)-PHENYLCARBONYL- GLUTAMIC ACID | A,B | 1DIB | 0.72 | |
T42 | MORPHOLINO-DIPHENYLALANINE-METHOXYPROPYLBORONIC ACID | H,I | 1AI8 | 0.71 | |
FE1 | METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN- 6-YL)METHYL](METHYL)AMINO}BENZOYL)PIPERIDINE- 4-CARBOXYLATE | A,B,C,D | 2QHX | 0.72 | |
QIN | N-[(1S,2S)-2-AMINO-1-(3-THIENYLMETHYL)HEXYL]- 2-({[(1S,2S)-2-METHYLCYCLOPROPYL]METHYL}AMINO)- 6-[METHYL(METHYLSULFONYL)AMINO]ISONICOTINAMIDE | A | 2OAH | 0.74 | |
DVP | METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN- 6-YL)METHYL]AMINO}BENZOYL)PIPERIDINE- 4-CARBOXYLATE | A,B,C,D,E,F, G,H | 3H4V | 0.73 | |
G37 | 2-(BENZYLCARBAMOYL-PHENYLACETYLAMINO- METHYL)-5,5-DIMETHYL-THIAZOLIDINE- 4-CARBOXYLIC ACID 3-[(1H-BENZIMIDAZOL- 2-YLMETHYLCARBAMOYL)-1-BENZYL-2- HYDROXYPROPYL]-AMIDE | A | 1HTG | 0.71 | |
L37 | A,B | 1DIG | 0.72 | ||
3BI | (2S)-2-{[(R)-[(3R)-3-carboxy-3- {[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)carbonyl]amino}propyl](hydroxy)phosphoryl]methyl}pentanedioic acid | A | 3BI1 | 0.73 | |
D16 | TOMUDEX | A,B | 1I00 | 0.72 | |
D16 | TOMUDEX | A,B | 2KCE | 0.72 | |
D16 | TOMUDEX | A,B,C,D | 2TSR | 0.72 | |
D16 | TOMUDEX | A,B,C,D | 1HVY | 0.72 | |
D16 | TOMUDEX | A,B | 1RTS | 0.72 | |
MT1 | N-(4-{[(2,4-DIAMINOPTERIDIN-1-IUM- 6-YL)METHYL](METHYL)AMINO}BENZOYL)- L-GLUTAMIC ACID | A,B | 2INQ | 0.76 | |
OQB | 4-OXO-3-[(6-{[4-(QUINOXALIN-2-YLAMINO)- BENZOYLAMINO]-METHYL}-PYRIDINE- 3-CARBONYL)-AMINO]-BUTYRIC ACID | A | 1RWW | 0.75 | |
BTH | 4-OXO-3-{6-[4-(QUINOXALIN-2-YLAMINO)- BENZOYLAMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}- PENTANOIC ACID | A | 1RWO | 0.86 | |
THH | N-[4-({[(6S)-2-AMINO-4-HYDROXY- 5-METHYL-5,6,7,8-TETRAHYDROPTERIDIN- 6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID | A,B | 3DCJ | 0.73 | |
THH | N-[4-({[(6S)-2-AMINO-4-HYDROXY- 5-METHYL-5,6,7,8-TETRAHYDROPTERIDIN- 6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID | A,B | 1WSV | 0.73 | |
CY0 | S-{3-[(4-ANILINOQUINAZOLIN-6-YL)AMINO]- 3-OXOPROPYL}-L-CYSTEINE | A | 2J5E | 0.7 | |
Q2Y | 4-OXO-3-[2-(5-{[4-(QUINOXALIN-2- YLAMINO)-BENZOYLAMINO]-METHYL}- THIOPHEN-2-YL)-ACETYLAMINO]-PENTANOIC ACID | A | 1RWM | 0.86 | |
MTX | METHOTREXATE | A,B | 1DRB | 0.77 | |
MTX | METHOTREXATE | A,B,C,D | 2C7V | 0.77 | |
MTX | METHOTREXATE | A | 1U70 | 0.77 | |
MTX | METHOTREXATE | A,B,C,D | 1MXF | 0.77 | |
MTX | METHOTREXATE | A | 2QK8 | 0.77 | |
MTX | METHOTREXATE | A,B | 1RB3 | 0.77 | |
MTX | METHOTREXATE | A,B | 1DHJ | 0.77 | |
MTX | METHOTREXATE | A | 3DAU | 0.77 | |
MTX | METHOTREXATE | A | 1U72 | 0.77 | |
MTX | METHOTREXATE | A,B | 2DRC | 0.77 | |
MTX | METHOTREXATE | A,B | 1D1G | 0.77 | |
MTX | METHOTREXATE | A,B | 1DDR | 0.77 | |
MTX | METHOTREXATE | A,B | 1E7W | 0.77 | |
MTX | METHOTREXATE | A | 1RX3 | 0.77 | |
MTX | METHOTREXATE | A | 3DFR | 0.77 | |
MTX | METHOTREXATE | A,B,C,D | 1P33 | 0.77 | |
MTX | METHOTREXATE | A | 3DAT | 0.77 | |
MTX | METHOTREXATE | A,B | 1DHI | 0.77 | |
MTX | METHOTREXATE | A,B | 1TDR | 0.77 | |
MTX | METHOTREXATE | A,B | 1DRA | 0.77 | |
MTX | METHOTREXATE | A | 3EIG | 0.77 | |
MTX | METHOTREXATE | A | 3CD2 | 0.77 | |
MTX | METHOTREXATE | A | 1AO8 | 0.77 | |
MTX | METHOTREXATE | A | 1DF7 | 0.77 | |
MTX | METHOTREXATE | A | 1DLS | 0.77 | |
MTX | METHOTREXATE | A | 1RG7 | 0.77 | |
MTX | METHOTREXATE | A | 1RH3 | 0.77 | |
MTX | METHOTREXATE | A,B | 4DFR | 0.77 | |
MTX | METHOTREXATE | A | 1RA3 | 0.77 | |
MTX | METHOTREXATE | A,B | 1DDS | 0.77 | |
MTX | METHOTREXATE | A | 1DRE | 0.77 | |
MTX | METHOTREXATE | A,B | 1AXW | 0.77 | |
MTX | METHOTREXATE | A | 3CL9 | 0.77 | |
MTX | METHOTREXATE | A,B | 3DRC | 0.77 | |
MTX | METHOTREXATE | A,B,C,D,E | 2OIP | 0.77 | |
B18 | (4R)-N-[4-({[2-(DIMETHYLAMINO)ETHYL]AMINO}CARBONYL)- 1,3-THIAZOL-2-YL]-4-METHYL-1-OXO- 2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE- 6-CARBOXAMIDE | A,B,C | 2PZY | 0.72 | |
DZF | 5-DEAZAFOLIC ACID | A,B | 2DHF | 0.73 | |
DZF | 5-DEAZAFOLIC ACID | A,B | 1DYH | 0.73 | |
DZF | 5-DEAZAFOLIC ACID | A,B,C,D | 1CDE | 0.73 | |
FOL | FOLIC ACID | A | 1PJ6 | 0.75 | |
FOL | FOLIC ACID | A,B | 1RD7 | 0.75 | |
FOL | FOLIC ACID | A,B | 1DHF | 0.75 | |
FOL | FOLIC ACID | A,B,C,D,E | 1QZF | 0.75 | |
FOL | FOLIC ACID | A | 4CD2 | 0.75 | |
FOL | FOLIC ACID | A | 1RX7 | 0.75 | |
FOL | FOLIC ACID | A | 1RX2 | 0.75 | |
FOL | FOLIC ACID | A | 1RX8 | 0.75 | |
FOL | FOLIC ACID | A | 1RA2 | 0.75 | |
FOL | FOLIC ACID | A,B | 1RE7 | 0.75 | |
FOL | FOLIC ACID | A | 7DFR | 0.75 | |
FOL | FOLIC ACID | A | 1VIF | 0.75 | |
FOL | FOLIC ACID | A,B | 1RB2 | 0.75 | |
FOL | FOLIC ACID | A | 1CD2 | 0.75 | |
FOL | FOLIC ACID | A | 2CD2 | 0.75 | |
FOL | FOLIC ACID | A,B | 1DYI | 0.75 | |
FOL | FOLIC ACID | A | 1DRF | 0.75 | |
FOL | FOLIC ACID | A,B,C,D | 3BMC | 0.75 | |
FOL | FOLIC ACID | A,B | 2D0K | 0.75 | |
FOL | FOLIC ACID | A | 1RA8 | 0.75 | |
S98 | 6-amino-2-[(thiophen-2-ylmethyl)amino]- 1,7-dihydro-8H-imidazo[4,5-g]quinazolin- 8-one | A | 3C2Z | 0.71 | |
4QB | 3-{2-ETHYL-6-[4-(QUINOXALIN-2-YLAMINO)- BENZOYLAMINO]-HEXANOYLAMINO}-4- OXO-BUTYRIC ACID | A | 1RWN | 0.77 | |
SPP | (1-(5-METHANSULPHONAMIDO-1H-INDOL- 2-YL-CARBONYL)4-[METHYLAMINO)PYRIDINYL]PIPERAZINE | A | 1KLM | 0.7 | |
NZO | nocodazole | A,B | 3EE2 | 0.73 |