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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00523614

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CST[[PHENYLALANINE-CARBONYL-AMINO-
2-(2-AMINO-1,4,5,6-TETRAHYDRO-PYRIMIDIN-
4-YL)-1-ACETALDEHYDYL]-2-ISOBUTYL-
GLYCYL]PHENYLALANINE		A,B1BCS0.7
CST[[PHENYLALANINE-CARBONYL-AMINO-
2-(2-AMINO-1,4,5,6-TETRAHYDRO-PYRIMIDIN-
4-YL)-1-ACETALDEHYDYL]-2-ISOBUTYL-
GLYCYL]PHENYLALANINE		A1SGC0.7
KR2(2R)-4-(2-BENZOYL-1,2-DIAZEPAN-
1-YL)-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-
2-AMINE		A,B2OLE0.72
NKKN~2~-(naphthalen-2-ylcarbonyl)-
L-lysyl-N-[(1S)-4-carbamimidamido-
1-formylbutyl]-L-lysinamide		B,D3E900.73
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA,B1KZI0.73
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1M7Z0.73
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA3BHR0.73
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA3GSI0.73
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1M7V0.73
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA,B3BHL0.73
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1U220.73
BFBN-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIMIDOYLAMINO)BUTYL]BENZAMIDEA2DW50.78
FPBN-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-
2-YL}METHYL)BENZAMIDE		A,B2BUB0.77
FONFOLINIC ACIDA,B1QD10.72
FONFOLINIC ACIDA,B2BLN0.72
FONFOLINIC ACIDA,B,C,D1VRQ0.72
FONFOLINIC ACIDA,B1KL20.72
FONFOLINIC ACIDA,B1XZQ0.72
TFK3-[[(METHYLAMINO)SULFONYL]AMINO]-
2-OXO-6-PHENYL-N-[3,3,3-TRIFLUORO-
1-(1-METHYLETHYL)-2-OXOPHENYL]-
1(2H)-PYRIDINE ACETAMIDE		A1EAS0.7
TGF2-[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,D1LS30.7
KU84-[3-(1,4-diazepan-1-ylcarbonyl)-
4-fluorobenzyl]phthalazin-1(2H)-
one		A3C490.72
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX60.74
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX50.74
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX40.74
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA,B1DYJ0.74
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RC40.74
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1U1J0.73
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2OGY0.73
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XPG0.73
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1TLS0.73
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B,C1ZP40.73
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2E7F0.73
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1TSN0.73
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2IDK0.73
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XR20.73
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1B020.73
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1Q8J0.73
F1J(2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-
2-carboxamide		A2ZJJ0.72
BPO3-[(Z)-AMINO(IMINO)METHYL]-N-[2-
(4-BENZOYL-1-PIPERIDINYL)-2-OXO-
1-PHENYLETHYL]BENZAMIDE		A1EB20.73
BBT2-HYDROXY-5-[4-(2-HYDROXY-ETHYL)-
PIPERIDIN-1-YL]-5-PHENYL-1H-PYRIMIDINE-
4,6-DIONE		A1JJ90.71
DQB4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID		A1ZLY0.71
5FH(5S)-5-benzylimidazolidine-2,4-
dione		A2JLO0.7
F1K(2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-
2-carboxamide		A,B,C2ZJK0.72
DP7AC-(D)PHE-PRO-BOROARG-OHH1LHC0.7
L86(11S)-11-BENZYL-6-CHLORO-1,2,10,11,12,13,14,15,16,17,18,19-
DODECAHYDRO-5,9-METHANO-2,5,8,10,13,17-
BENZOHEXAAZACYCLOHENICOSINE-3,24-
DIONE		A,B1NM60.71
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide		A,B3CNS0.73
FA4SM-25453A,B2D1O0.72
FA4SM-25453A,B2D1N0.72
XXZ1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO-
1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]-
4'-AMINE		A,B3E650.76
BAGN-[(E)-2-AMINO-1-(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)-
2-HYDROXYVINYL]BENZAMIDE		A1WDA0.74
AQO2-AMINOQUINAZOLIN-4(3H)-ONEA1S390.73
NDLN-BENZOYL-L-NORLEUCYL-L-LYSYL-L-
ARGINYL-L-ARGININE		B2FP70.72
DHFDIHYDROFOLIC ACIDA,B,C,D,E3DL50.7
DHFDIHYDROFOLIC ACIDA1LCB0.7
DHFDIHYDROFOLIC ACIDA,B,C,D1MXH0.7
DHFDIHYDROFOLIC ACIDA2RK10.7
DHFDIHYDROFOLIC ACIDA1RF70.7
DHFDIHYDROFOLIC ACIDA,B,C,D,E3DL60.7
DHFDIHYDROFOLIC ACIDA1TYS0.7
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide		A,B3CNT0.73
FRM2-{3-[4-(4-FLUOROPHENYL)-3,6-DIHYDRO-
1(2H)-PYRIDINYL]PROPYL}-8-METHYL-
4(3H)-QUINAZOLINONE		A,B1UK00.73
MAQ2-AMINO-8-METHYLQUINAZOLIN-4(3H)-
ONE		A1S380.71
MEFN-({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		A3BGX0.71
XX43-(2-AMINO-6-BENZOYLQUINAZOLIN-
3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE		A,B,C2Q110.73
U1N4-[(3R)-3-{[2-(4-FLUOROPHENYL)-
2-OXOETHYL]AMINO}BUTYL]BENZAMIDE		A,B2OGZ0.71
37UD-phenylalanyl-N-(3-fluorobenzyl)-
L-prolinamide		H,I2ZDV0.72
BHB2,6-DIAMINO-8-(2-DIMETHYLAMINOETHYLSULFANYLMETHYL)-
3H-QUINAZOLIN-4-ONE		A1Q650.71
SY12-({2-[(3R)-3-AMINOPIPERIDIN-1-
YL]-4-OXOQUINAZOLIN-3(4H)-YL}METHYL)BENZONITRILE		A,B,C,D2ONC0.78
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SN90.72
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1SNE0.72
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SNA0.72
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1XOF0.72
008(S)-2-[(R)-3-AMINO-4-(2-FLUORO-
PHENYL)-BUTYRYL]-1,2,3,4-TETRAHYDRO-
ISOQUINOLINE-3-CARBOXYLIC ACID AMIDE		A,B,C,D2BUC0.75
THLN-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8-
HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-
L-GLUTAMIC ACID		A3G5R0.72
THLN-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8-
HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-
L-GLUTAMIC ACID		A1WOO0.72
FRQ5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN-
1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)-
DIONE		A,B1UK10.71
KEUN-{4-[(1R)-4-[(2R,4R,5S)-2,4-DIAMINO-
6-OXOHEXAHYDROPYRIMIDIN-5-YL]-1-
(2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYL)BUTYL]BENZOYL}-
D-GLUTAMIC ACID		A,B1NJS0.7
KEUN-{4-[(1R)-4-[(2R,4R,5S)-2,4-DIAMINO-
6-OXOHEXAHYDROPYRIMIDIN-5-YL]-1-
(2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYL)BUTYL]BENZOYL}-
D-GLUTAMIC ACID		A,B,C,D1RBY0.7
KEUN-{4-[(1R)-4-[(2R,4R,5S)-2,4-DIAMINO-
6-OXOHEXAHYDROPYRIMIDIN-5-YL]-1-
(2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYL)BUTYL]BENZOYL}-
D-GLUTAMIC ACID		A,B,C,D1RBQ0.7