Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02372002
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 |
MT1 | N-(4-{[(2,4-DIAMINOPTERIDIN-1-IUM- 6-YL)METHYL](METHYL)AMINO}BENZOYL)- L-GLUTAMIC ACID | A,B | 2INQ | 0.83 | |
APT | 2-AMINO-6-[(4-CARBOXY-PHENYLAMINO)- METHYL]-4-HYDROXY-PTERIDIN-1-IUM | A,B | 1QCJ | 0.73 | |
FOL | FOLIC ACID | A | 1PJ6 | 0.87 | |
FOL | FOLIC ACID | A,B | 1RD7 | 0.87 | |
FOL | FOLIC ACID | A,B | 1DHF | 0.87 | |
FOL | FOLIC ACID | A,B,C,D,E | 1QZF | 0.87 | |
FOL | FOLIC ACID | A | 4CD2 | 0.87 | |
FOL | FOLIC ACID | A | 1RX7 | 0.87 | |
FOL | FOLIC ACID | A | 1RX2 | 0.87 | |
FOL | FOLIC ACID | A | 1RX8 | 0.87 | |
FOL | FOLIC ACID | A | 1RA2 | 0.87 | |
FOL | FOLIC ACID | A,B | 1RE7 | 0.87 | |
FOL | FOLIC ACID | A | 7DFR | 0.87 | |
FOL | FOLIC ACID | A | 1VIF | 0.87 | |
FOL | FOLIC ACID | A,B | 1RB2 | 0.87 | |
FOL | FOLIC ACID | A | 1CD2 | 0.87 | |
FOL | FOLIC ACID | A | 2CD2 | 0.87 | |
FOL | FOLIC ACID | A,B | 1DYI | 0.87 | |
FOL | FOLIC ACID | A | 1DRF | 0.87 | |
FOL | FOLIC ACID | A,B,C,D | 3BMC | 0.87 | |
FOL | FOLIC ACID | A,B | 2D0K | 0.87 | |
FOL | FOLIC ACID | A | 1RA8 | 0.87 | |
FR9 | 1-[(1R)-3-(6-{[(BENZYLAMINO)CARBONYL]AMINO}- 1H-INDOL-1-YL)-1-(HYDROXYMETHYL)PROPYL]- 1H-IMIDAZOLE-4-CARBOXAMIDE | A | 1O5R | 0.7 | |
G14 | 2-phenyl-1H-imidazole-4-carboxylic acid | A,B | 3GRJ | 0.71 | |
MS1 | A,B | 1OZ0 | 0.76 | ||
CKR | 6-amino-2-[(2-morpholin-4-ylethyl)amino]- 3,7-dihydro-8H-imidazo[4,5-g]quinazolin- 8-one | A | 3C2N | 0.71 | |
THF | 5-HYDROXYMETHYLENE-6-HYDROFOLIC ACID | A,B,C,D | 1EJI | 0.74 | |
THF | 5-HYDROXYMETHYLENE-6-HYDROFOLIC ACID | A | 1U3G | 0.74 | |
THF | 5-HYDROXYMETHYLENE-6-HYDROFOLIC ACID | A | 2TDD | 0.74 | |
CY0 | S-{3-[(4-ANILINOQUINAZOLIN-6-YL)AMINO]- 3-OXOPROPYL}-L-CYSTEINE | A | 2J5E | 0.71 | |
ONO | 2-[2-({[4-(DIAMINOMETHYL)PHENYL]AMINO}CARBONYL)- 6-METHOXYPYRIDIN-3-YL]-5-{[(1-FORMYL- 2,2-DIMETHYLPROPYL)AMINO]CARBONYL}BENZOIC ACID | A | 2AYW | 0.7 | |
FR8 | 1-((1R)-1-(HYDROXYMETHYL)-3-{6- [(5-PHENYLPENTANOYL)AMINO]-1H-INDOL- 1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE | A | 1QXL | 0.71 | |
DVR | 3-(4-CARBAMOYL-1-CARBOXY-2-METHYLSULFONYL- BUTA-1,3-DIENYLAMINO)-INDOLIZINE- 2-CARBOXYLIC ACID | A | 1GA0 | 0.7 | |
NIX | NALIDIXIC ACID | A,B | 2BQ2 | 0.71 | |
DHF | DIHYDROFOLIC ACID | A,B,C,D,E | 3DL5 | 0.76 | |
DHF | DIHYDROFOLIC ACID | A | 1LCB | 0.76 | |
DHF | DIHYDROFOLIC ACID | A,B,C,D | 1MXH | 0.76 | |
DHF | DIHYDROFOLIC ACID | A | 2RK1 | 0.76 | |
DHF | DIHYDROFOLIC ACID | A | 1RF7 | 0.76 | |
DHF | DIHYDROFOLIC ACID | A,B,C,D,E | 3DL6 | 0.76 | |
DHF | DIHYDROFOLIC ACID | A | 1TYS | 0.76 | |
PT1 | PTEROIC ACID | A,B | 1TX0 | 0.74 | |
PT1 | PTEROIC ACID | A | 1BR6 | 0.74 | |
PT1 | PTEROIC ACID | A,B | 1HWP | 0.74 | |
TMF | 5,10-METHYLENE-6-HYDROFOLIC ACID | A | 1BJG | 0.74 | |
TMF | 5,10-METHYLENE-6-HYDROFOLIC ACID | A | 1JBW | 0.74 | |
TMF | 5,10-METHYLENE-6-HYDROFOLIC ACID | A | 1LCE | 0.74 | |
S91 | [4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN- 2-YL}AMINO)PHENYL]ACETIC ACID | A | 2Z8C | 0.73 | |
S91 | [4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN- 2-YL}AMINO)PHENYL]ACETIC ACID | A | 2Z7L | 0.73 | |
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 | |
T42 | MORPHOLINO-DIPHENYLALANINE-METHOXYPROPYLBORONIC ACID | H,I | 1AI8 | 0.71 | |
LUM | LUMICHROME | A | 2CC6 | 0.73 | |
LUM | LUMICHROME | A,B | 1S4M | 0.73 | |
LUM | LUMICHROME | A | 2CC7 | 0.73 | |
LUM | LUMICHROME | A | 1HE5 | 0.73 | |
5HI | (3R,5R)-7-[2-(4-fluorophenyl)-4- {[(1S)-2-hydroxy-1-phenylethyl]carbamoyl}- 5-(1-methylethyl)-1H-imidazol-1- yl]-3,5-dihydroxyheptanoic acid | A,B,C,D | 3CCZ | 0.73 | |
MHF | 5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACID | X | 2IJG | 0.73 | |
MHF | 5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACID | A,B | 2J4D | 0.73 | |
MHF | 5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACID | A,B | 1DNP | 0.73 | |
9AD | 9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE- 4-CARBOXAMIDE | A | 465D | 0.73 | |
9AD | 9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE- 4-CARBOXAMIDE | A | 452D | 0.73 | |
OQB | 4-OXO-3-[(6-{[4-(QUINOXALIN-2-YLAMINO)- BENZOYLAMINO]-METHYL}-PYRIDINE- 3-CARBONYL)-AMINO]-BUTYRIC ACID | A | 1RWW | 0.86 | |
LYA | 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO- 3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)- ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID | A,B,C,D | 1JUJ | 0.74 | |
LYA | 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO- 3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)- ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID | A,B,C,D | 1JU6 | 0.74 | |
THG | (6S)-5,6,7,8-TETRAHYDROFOLATE | A,B | 1KZI | 0.75 | |
THG | (6S)-5,6,7,8-TETRAHYDROFOLATE | A | 1M7Z | 0.75 | |
THG | (6S)-5,6,7,8-TETRAHYDROFOLATE | A | 3BHR | 0.75 | |
THG | (6S)-5,6,7,8-TETRAHYDROFOLATE | A | 3GSI | 0.75 | |
THG | (6S)-5,6,7,8-TETRAHYDROFOLATE | A | 1M7V | 0.75 | |
THG | (6S)-5,6,7,8-TETRAHYDROFOLATE | A,B | 3BHL | 0.75 | |
THG | (6S)-5,6,7,8-TETRAHYDROFOLATE | A | 1U22 | 0.75 | |
Q2Y | 4-OXO-3-[2-(5-{[4-(QUINOXALIN-2- YLAMINO)-BENZOYLAMINO]-METHYL}- THIOPHEN-2-YL)-ACETYLAMINO]-PENTANOIC ACID | A | 1RWM | 0.8 | |
COP | N-(4-CARBOXY-4-{4-[(2,4-DIAMINO- PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}- BUTYL)-PHTHALAMIC ACID | A | 1OHJ | 0.8 | |
COP | N-(4-CARBOXY-4-{4-[(2,4-DIAMINO- PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}- BUTYL)-PHTHALAMIC ACID | A | 1OHK | 0.8 | |
AT6 | N-[2-(6-AMINO-4-METHYLPYRIDIN-2- YL)ETHYL]-4-CYANOBENZAMIDE | A,B | 3E68 | 0.7 | |
LYB | 2-{4-[4-(4-{4-[2-(2-AMINO-4-OXO- 4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN- 5-YL)-ETHYL]-BENZOYLAMINO}-4-CARBOXY- BUTYRYLAMINO)-4-CARBOXY-BUTYRYLAMINO}- PENTANEDIOIC ACID | A,B | 1JTU | 0.72 | |
FE1 | METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN- 6-YL)METHYL](METHYL)AMINO}BENZOYL)PIPERIDINE- 4-CARBOXYLATE | A,B,C,D | 2QHX | 0.75 | |
OPN | {(2-AMINO-ETHYL)-[2-(2-OXO-1,2- DIHYDRO-[1,8]NAPHTHYRIDIN-3-YL)- ACETYL]-AMINO}-ACETIC ACID | A,B,C,D | 1HZS | 0.7 | |
DQB | 4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN- 6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID | A | 1ZLY | 0.71 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A | 1U1J | 0.74 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 2OGY | 0.74 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 1XPG | 0.74 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 1TLS | 0.74 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B,C | 1ZP4 | 0.74 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 2E7F | 0.74 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A | 1TSN | 0.74 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 2IDK | 0.74 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 1XR2 | 0.74 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A | 1B02 | 0.74 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 1Q8J | 0.74 | |
AXD | 2-[4-({2-[(2S,5R)-2-(AMINOMETHYL)- 5-ETHYNYLPYRROLIDIN-1-YL]-2-OXOETHYL}AMINO)- 4-METHYLPIPERIDIN-1-YL]ISONICOTINIC ACID | B | 2I03 | 0.71 | |
4HI | (3R,5R)-7-[4-(benzylcarbamoyl)- 2-(4-fluorophenyl)-5-(1-methylethyl)- 1H-imidazol-1-yl]-3,5-dihydroxyheptanoic acid | B,C,D | 3CCW | 0.72 | |
MEF | N-({4-[(6aR)-3-amino-1-oxo-1,2,5,6,6a,7- hexahydroimidazo[1,5-f]pteridin- 8(9H)-yl]phenyl}carbonyl)-L-glutamic acid | A | 3BGX | 0.73 | |
PD8 | PHOSPHORYLATED DIHYDROPTEROATE | A | 1W78 | 0.75 | |
KT5 | N-{4-4-(2,4-DIAMINO-6-OXO-1,6-DIHYDRO- PYRIMIDIN-5-YL)-1-(2,2,2-TRIFLUORO- 1,1-DIHYDROXY-ETHYL)-BUT-2-YL-BENZOYL}- GAMMA-GLUTAMYL-GAMMA-GLUTAMYL-GAMMA- GLUTAMYL-GAMMA-GLUTAMYL-GLUTAMIC ACID | A,B | 1RC0 | 0.71 | |
KT5 | N-{4-4-(2,4-DIAMINO-6-OXO-1,6-DIHYDRO- PYRIMIDIN-5-YL)-1-(2,2,2-TRIFLUORO- 1,1-DIHYDROXY-ETHYL)-BUT-2-YL-BENZOYL}- GAMMA-GLUTAMYL-GAMMA-GLUTAMYL-GAMMA- GLUTAMYL-GAMMA-GLUTAMYL-GLUTAMIC ACID | A,B | 1RBZ | 0.71 | |
KT5 | N-{4-4-(2,4-DIAMINO-6-OXO-1,6-DIHYDRO- PYRIMIDIN-5-YL)-1-(2,2,2-TRIFLUORO- 1,1-DIHYDROXY-ETHYL)-BUT-2-YL-BENZOYL}- GAMMA-GLUTAMYL-GAMMA-GLUTAMYL-GAMMA- GLUTAMYL-GAMMA-GLUTAMYL-GLUTAMIC ACID | A,B | 1RBM | 0.71 | |
FON | FOLINIC ACID | A,B | 1QD1 | 0.74 | |
FON | FOLINIC ACID | A,B | 2BLN | 0.74 | |
FON | FOLINIC ACID | A,B,C,D | 1VRQ | 0.74 | |
FON | FOLINIC ACID | A,B | 1KL2 | 0.74 | |
FON | FOLINIC ACID | A,B | 1XZQ | 0.74 | |
BTH | 4-OXO-3-{6-[4-(QUINOXALIN-2-YLAMINO)- BENZOYLAMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}- PENTANOIC ACID | A | 1RWO | 0.78 | |
TGF | 2-[4-(4-{4-[(2-AMINO-5-FORMYL-4- OXO-3,4,5,6,7,8-HEXAHYDRO-PTERIDIN- 6-YLMETHYL)-AMINO]-BENZOYLAMINO}- 4-CARBOXY-BUTYRYLAMINO)-4-CARBOXY- BUTYRYLAMINO]-PENTANEDIOIC ACID | A,B,C,D | 1LS3 | 0.72 | |
MTX | METHOTREXATE | A,B | 1DRB | 0.84 | |
MTX | METHOTREXATE | A,B,C,D | 2C7V | 0.84 | |
MTX | METHOTREXATE | A | 1U70 | 0.84 | |
MTX | METHOTREXATE | A,B,C,D | 1MXF | 0.84 | |
MTX | METHOTREXATE | A | 2QK8 | 0.84 | |
MTX | METHOTREXATE | A,B | 1RB3 | 0.84 | |
MTX | METHOTREXATE | A,B | 1DHJ | 0.84 | |
MTX | METHOTREXATE | A | 3DAU | 0.84 | |
MTX | METHOTREXATE | A | 1U72 | 0.84 | |
MTX | METHOTREXATE | A,B | 2DRC | 0.84 | |
MTX | METHOTREXATE | A,B | 1D1G | 0.84 | |
MTX | METHOTREXATE | A,B | 1DDR | 0.84 | |
MTX | METHOTREXATE | A,B | 1E7W | 0.84 | |
MTX | METHOTREXATE | A | 1RX3 | 0.84 | |
MTX | METHOTREXATE | A | 3DFR | 0.84 | |
MTX | METHOTREXATE | A,B,C,D | 1P33 | 0.84 | |
MTX | METHOTREXATE | A | 3DAT | 0.84 | |
MTX | METHOTREXATE | A,B | 1DHI | 0.84 | |
MTX | METHOTREXATE | A,B | 1TDR | 0.84 | |
MTX | METHOTREXATE | A,B | 1DRA | 0.84 | |
MTX | METHOTREXATE | A | 3EIG | 0.84 | |
MTX | METHOTREXATE | A | 3CD2 | 0.84 | |
MTX | METHOTREXATE | A | 1AO8 | 0.84 | |
MTX | METHOTREXATE | A | 1DF7 | 0.84 | |
MTX | METHOTREXATE | A | 1DLS | 0.84 | |
MTX | METHOTREXATE | A | 1RG7 | 0.84 | |
MTX | METHOTREXATE | A | 1RH3 | 0.84 | |
MTX | METHOTREXATE | A,B | 4DFR | 0.84 | |
MTX | METHOTREXATE | A | 1RA3 | 0.84 | |
MTX | METHOTREXATE | A,B | 1DDS | 0.84 | |
MTX | METHOTREXATE | A | 1DRE | 0.84 | |
MTX | METHOTREXATE | A,B | 1AXW | 0.84 | |
MTX | METHOTREXATE | A | 3CL9 | 0.84 | |
MTX | METHOTREXATE | A,B | 3DRC | 0.84 | |
MTX | METHOTREXATE | A,B,C,D,E | 2OIP | 0.84 | |
MOT | N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN- 5-YL)METHYL]METHYLAMINO]-BENZOYL]- L-GLUTAMATE | A | 1HFR | 0.73 | |
MOT | N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN- 5-YL)METHYL]METHYLAMINO]-BENZOYL]- L-GLUTAMATE | A | 1DAJ | 0.73 | |
MOT | N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN- 5-YL)METHYL]METHYLAMINO]-BENZOYL]- L-GLUTAMATE | A | 1HFQ | 0.73 | |
MOT | N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN- 5-YL)METHYL]METHYLAMINO]-BENZOYL]- L-GLUTAMATE | A | 1HFP | 0.73 | |
ROC | N~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)- 3-(tert-butylcarbamoyl)octahydroisoquinolin- 2(1H)-yl]-2-hydroxypropyl}-N~2~- (quinolin-2-ylcarbonyl)-L-aspartamide | A,B | 2NMW | 0.73 | |
ROC | N~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)- 3-(tert-butylcarbamoyl)octahydroisoquinolin- 2(1H)-yl]-2-hydroxypropyl}-N~2~- (quinolin-2-ylcarbonyl)-L-aspartamide | A,B | 3D1Y | 0.73 | |
ROC | N~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)- 3-(tert-butylcarbamoyl)octahydroisoquinolin- 2(1H)-yl]-2-hydroxypropyl}-N~2~- (quinolin-2-ylcarbonyl)-L-aspartamide | A,B | 2NMY | 0.73 | |
ROC | N~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)- 3-(tert-butylcarbamoyl)octahydroisoquinolin- 2(1H)-yl]-2-hydroxypropyl}-N~2~- (quinolin-2-ylcarbonyl)-L-aspartamide | A,B | 3CYX | 0.73 | |
ROC | N~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)- 3-(tert-butylcarbamoyl)octahydroisoquinolin- 2(1H)-yl]-2-hydroxypropyl}-N~2~- (quinolin-2-ylcarbonyl)-L-aspartamide | A,B | 2NNP | 0.73 | |
ROC | N~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)- 3-(tert-butylcarbamoyl)octahydroisoquinolin- 2(1H)-yl]-2-hydroxypropyl}-N~2~- (quinolin-2-ylcarbonyl)-L-aspartamide | B | 1C6Z | 0.73 | |
ROC | N~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)- 3-(tert-butylcarbamoyl)octahydroisoquinolin- 2(1H)-yl]-2-hydroxypropyl}-N~2~- (quinolin-2-ylcarbonyl)-L-aspartamide | A,B | 2NNK | 0.73 | |
ROC | N~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)- 3-(tert-butylcarbamoyl)octahydroisoquinolin- 2(1H)-yl]-2-hydroxypropyl}-N~2~- (quinolin-2-ylcarbonyl)-L-aspartamide | A | 1FB7 | 0.73 | |
ROC | N~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)- 3-(tert-butylcarbamoyl)octahydroisoquinolin- 2(1H)-yl]-2-hydroxypropyl}-N~2~- (quinolin-2-ylcarbonyl)-L-aspartamide | A,B | 2NMZ | 0.73 | |
ROC | N~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)- 3-(tert-butylcarbamoyl)octahydroisoquinolin- 2(1H)-yl]-2-hydroxypropyl}-N~2~- (quinolin-2-ylcarbonyl)-L-aspartamide | A,B | 3D1X | 0.73 | |
4QB | 3-{2-ETHYL-6-[4-(QUINOXALIN-2-YLAMINO)- BENZOYLAMINO]-HEXANOYLAMINO}-4- OXO-BUTYRIC ACID | A | 1RWN | 0.85 | |
BFA | 9-BROMO-PHENAZINE-1-CARBOXYLIC ACID (2- DIMETHYLAMINO-ETHYL)-AMIDE | A,B | 1EG6 | 0.72 | |
KT3 | N-{4-4-(2,4-DIAMINO-6-OXO-1,6-DIHYDRO- PYRIMIDIN-5-YL)-1-(2,2,2-TRIFLUORO- 1,1-DIHYDROXY-ETHYL)-BUT-2-YL-BENZOYL}- GAMMA-GLUTAMYL-GAMMA-GLUTAMYL-GLUTAMIC ACID | A,B | 1RC1 | 0.72 | |
FFO | 5-FORMYL-6-HYDROFOLIC ACID | A,B,C,D | 1EQB | 0.74 | |
FFO | 5-FORMYL-6-HYDROFOLIC ACID | A | 1JOM | 0.74 | |
FFO | 5-FORMYL-6-HYDROFOLIC ACID | A | 1PJ7 | 0.74 | |
FFO | 5-FORMYL-6-HYDROFOLIC ACID | A,B,C,D | 1DFO | 0.74 | |
FFO | 5-FORMYL-6-HYDROFOLIC ACID | A,B | 2VMY | 0.74 | |
FFO | 5-FORMYL-6-HYDROFOLIC ACID | A,B | 1JOL | 0.74 | |
FFO | 5-FORMYL-6-HYDROFOLIC ACID | A | 1WOP | 0.74 | |
PFG | 10-PARPARGYL-5,8-DIDEAZAFOLATE- 4-GLUTAMIC ACID | A,B | 2BBQ | 0.73 | |
L37 | A,B | 1DIG | 0.83 | ||
8AD | 9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE- 4-CARBOXAMIDE | A,B | 1FN2 | 0.72 | |
8AD | 9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE- 4-CARBOXAMIDE | A,B | 1FN1 | 0.72 | |
GPB | N-[4-[2-(2-AMINO-4-METHYL-7H-PYRROLO[2,3- D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYL]GLUTAMIC ACID | A | 1E26 | 0.73 | |
THL | N-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8- HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]- L-GLUTAMIC ACID | A | 3G5R | 0.75 | |
THL | N-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8- HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]- L-GLUTAMIC ACID | A | 1WOO | 0.75 | |
1N8 | N-{2-[(N,N-DIETHYLGLYCYL)AMINO]- 5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL- 3-[2-(METHYLAMINO)QUINAZOLIN-6- YL]BENZAMIDE | A,B | 2OG8 | 0.7 | |
PB4 | N,N'-BIS(4-FLUORO-3-METHYLBENZYL)PYRIMIDINE- 4,6-DICARBOXAMIDE | A,B | 1XUD | 0.71 | |
NHR | 2-{4-[2-(2-AMINO-4-HYDROXY-QUINAZOLIN- 6-YL)-1-CARBOXY-ETHYL]-BENZOYLAMINO}- PENTANEDIOIC ACID | A,B | 1C3E | 0.79 | |
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 | 0.84 | |
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 | 0.84 | |
PB3 | N,N'-BIS(3-METHYLBENZYL)PYRIMIDINE- 4,6-DICARBOXAMIDE | A,B | 1XUC | 0.73 | |
DRC | 9-AMINO-N-[2-(4-MORPHOLINYL)ETHYL]- 4-ACRIDINECARBOXAMIDE | A | 1KCI | 0.72 | |
1IQ | 2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5- DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE- 3-CARBOXYLIC ACID | A | 1Z8N | 0.75 | |
C92 | N'-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)- 4-methyl-benzene-1,3-dicarboxamide | A,B | 3CPB | 0.71 | |
FR4 | 1-((1R)-1-(HYDROXYMETHYL)-3-{6- [(3-PHENYLPROPANOYL)AMINO]-1H-INDOL- 1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE | A | 1UML | 0.71 | |
L24 | [[[2-AMINO-5,6,7,8-TETRAHYDRO-4- HYDROXY-PYRIDO[2,3-D]PYRIMIDIN- 6-YL]-ETHYL]-PHENYL]-CARBONYL-GLUTAMIC ACID | A,B | 1DIA | 0.77 | |
PVE | (1S)-1-CARBOXY-5-[(3-CARBOXYPROPANOYL)AMINO]- 8,9-DIHYDROXY-1,2,3,4-TETRAHYDROPYRIMIDO[1,2- A]QUINOLIN-11-IUM | A,B,C | 2W6T | 0.71 | |
PVE | (1S)-1-CARBOXY-5-[(3-CARBOXYPROPANOYL)AMINO]- 8,9-DIHYDROXY-1,2,3,4-TETRAHYDROPYRIMIDO[1,2- A]QUINOLIN-11-IUM | A,B,C | 2W16 | 0.71 | |
PVE | (1S)-1-CARBOXY-5-[(3-CARBOXYPROPANOYL)AMINO]- 8,9-DIHYDROXY-1,2,3,4-TETRAHYDROPYRIMIDO[1,2- A]QUINOLIN-11-IUM | A,B,C | 2W76 | 0.71 | |
PVE | (1S)-1-CARBOXY-5-[(3-CARBOXYPROPANOYL)AMINO]- 8,9-DIHYDROXY-1,2,3,4-TETRAHYDROPYRIMIDO[1,2- A]QUINOLIN-11-IUM | A,B,C | 2W78 | 0.71 | |
PVE | (1S)-1-CARBOXY-5-[(3-CARBOXYPROPANOYL)AMINO]- 8,9-DIHYDROXY-1,2,3,4-TETRAHYDROPYRIMIDO[1,2- A]QUINOLIN-11-IUM | A,B,C | 2W6U | 0.71 | |
PVE | (1S)-1-CARBOXY-5-[(3-CARBOXYPROPANOYL)AMINO]- 8,9-DIHYDROXY-1,2,3,4-TETRAHYDROPYRIMIDO[1,2- A]QUINOLIN-11-IUM | A,B,C | 2W77 | 0.71 | |
24X | H,L | 2EC9 | 0.73 | ||
138 | A,B,C,D | 1JKX | 0.72 | ||
AAI | trans-4-(7-carbamoyl-1H-benzimidazol- 2-yl)-1-propylpiperidinium | A | 2RCW | 0.71 | |
7AD | 9-AMINO-N-[3-(DIMETHYLAMINO)PROPYL]ACRIDINE- 4-CARBOXAMIDE | A,B | 1RQY | 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 | 0.8 | |
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 | 0.82 | |
L1C | (2R,4S)-N^1^-(4-chlorophenyl)-4- (2,4-difluorophenyl)-4-hydroxy- N^2^-(2-oxo-2H-1,3'-bipyridin-6'- yl)pyrrolidine-1,2-dicarboxamide | A | 2W3I | 0.71 | |
XR2 | 1-METHYL-9-[12-(9-METHYLPHENAZIN- 10-IUM-1-YL)-12-OXO-2,11-DIAZA- 5,8-DIAZONIADODEC-1-ANOYL]PHENAZIN- 10-IUM | A | 1X95 | 0.72 | |
LYD | 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO- 3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)- ETHYL]-BENZOYLAMINO}-3-METHYL-BUTYRIC ACID | A,B | 1JUT | 0.7 | |
NFL | 2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID | A | 1TD7 | 0.72 | |
DVP | METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN- 6-YL)METHYL]AMINO}BENZOYL)PIPERIDINE- 4-CARBOXYLATE | A,B,C,D,E,F, G,H | 3H4V | 0.76 | |
SPP | (1-(5-METHANSULPHONAMIDO-1H-INDOL- 2-YL-CARBONYL)4-[METHYLAMINO)PYRIDINYL]PIPERAZINE | A | 1KLM | 0.7 | |
IQA | (5-OXO-5,6-DIHYDRO-INDOLO[1,2-A]QUINAZOLIN- 7-YL)-ACETIC ACID | A | 1OM1 | 0.74 | |
C24 | 3-({2-[(4-CARBAMIMIDOYL-PHENYLAMINO)- METHYL]-3-METHYL-3H-BENZOIMIDAZOLE- 5-CARBONYL}-PYRIDIN-2-YL-AMINO)- PROPIONIC ACID ETHYL ESTER | B,C | 1KTS | 0.76 | |
DZF | 5-DEAZAFOLIC ACID | A,B | 2DHF | 0.84 | |
DZF | 5-DEAZAFOLIC ACID | A,B | 1DYH | 0.84 | |
DZF | 5-DEAZAFOLIC ACID | A,B,C,D | 1CDE | 0.84 |