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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02457671

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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		A3BI10.78
CKR6-amino-2-[(2-morpholin-4-ylethyl)amino]-
3,7-dihydro-8H-imidazo[4,5-g]quinazolin-
8-one		A3C2N0.71
DZF5-DEAZAFOLIC ACIDA,B2DHF0.88
DZF5-DEAZAFOLIC ACIDA,B1DYH0.88
DZF5-DEAZAFOLIC ACIDA,B,C,D1CDE0.88
C92N'-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)-
4-methyl-benzene-1,3-dicarboxamide		A,B3CPB0.73
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1U1J0.77
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2OGY0.77
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XPG0.77
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1TLS0.77
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B,C1ZP40.77
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2E7F0.77
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1TSN0.77
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2IDK0.77
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XR20.77
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1B020.77
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1Q8J0.77
DHFDIHYDROFOLIC ACIDA,B,C,D,E3DL50.76
DHFDIHYDROFOLIC ACIDA1LCB0.76
DHFDIHYDROFOLIC ACIDA,B,C,D1MXH0.76
DHFDIHYDROFOLIC ACIDA2RK10.76
DHFDIHYDROFOLIC ACIDA1RF70.76
DHFDIHYDROFOLIC ACIDA,B,C,D,E3DL60.76
DHFDIHYDROFOLIC ACIDA1TYS0.76
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1KCE0.75
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1NCE0.75
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F1KZJ0.75
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDX2FTO0.75
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TRG0.75
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2TSC0.75
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVU0.75
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVV0.75
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1FWM0.75
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1BQ10.75
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL50.75
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AIQ0.75
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DDU0.75
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E1QZF0.75
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1TDU0.75
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZE0.75
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8M0.75
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E2OIP0.75
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1CI70.75
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DNA0.75
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1LCA0.75
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZD0.75
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1ZPR0.75
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2AAZ0.75
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8O0.75
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVW0.75
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL60.75
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AN50.75
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D2BFA0.75
C243-({2-[(4-CARBAMIMIDOYL-PHENYLAMINO)-
METHYL]-3-METHYL-3H-BENZOIMIDAZOLE-
5-CARBONYL}-PYRIDIN-2-YL-AMINO)-
PROPIONIC ACID ETHYL ESTER		B,C1KTS0.75
BTH4-OXO-3-{6-[4-(QUINOXALIN-2-YLAMINO)-
BENZOYLAMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-
PENTANOIC ACID		A1RWO0.72
DVPMETHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-
6-YL)METHYL]AMINO}BENZOYL)PIPERIDINE-
4-CARBOXYLATE		A,B,C,D,E,F,
G,H		3H4V0.77
DQB4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID		A1ZLY0.71
4QB3-{2-ETHYL-6-[4-(QUINOXALIN-2-YLAMINO)-
BENZOYLAMINO]-HEXANOYLAMINO}-4-
OXO-BUTYRIC ACID		A1RWN0.79
BO2N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-
N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE		2,H,K,N,V,Y2F160.73
3INN-[2(S)-CYCLOPENTYL-1(R)-HYDROXY-
3(R)METHYL]-5-[(2(S)-TERTIARY-BUTYLAMINO-
CARBONYL)-4-(N1-(2)-(N-METHYLPIPERAZINYL)-
3-CHLORO-PYRAZINYL-5-CARBONYL)-
PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYL-
PENTANAMIDE		B2BPZ0.74
3INN-[2(S)-CYCLOPENTYL-1(R)-HYDROXY-
3(R)METHYL]-5-[(2(S)-TERTIARY-BUTYLAMINO-
CARBONYL)-4-(N1-(2)-(N-METHYLPIPERAZINYL)-
3-CHLORO-PYRAZINYL-5-CARBONYL)-
PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYL-
PENTANAMIDE		B2BPY0.74
3INN-[2(S)-CYCLOPENTYL-1(R)-HYDROXY-
3(R)METHYL]-5-[(2(S)-TERTIARY-BUTYLAMINO-
CARBONYL)-4-(N1-(2)-(N-METHYLPIPERAZINYL)-
3-CHLORO-PYRAZINYL-5-CARBONYL)-
PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYL-
PENTANAMIDE		B1C6X0.74
CDO2-((R)-1-((S)-2-(N-(6-CARBAMIMIDOYLPYRIDIN-
3-YL)METHYLCARBAMOYL)-2H-PYRROL-
1(5H)-YL)-3-CYCLOHEXYL-1-OXOPROPAN-
2-YLAMINO)ACETIC ACID		H2ANM0.71
FE1METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-
6-YL)METHYL](METHYL)AMINO}BENZOYL)PIPERIDINE-
4-CARBOXYLATE		A,B,C,D2QHX0.76
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B,C,D1EQB0.77
FFO5-FORMYL-6-HYDROFOLIC ACIDA1JOM0.77
FFO5-FORMYL-6-HYDROFOLIC ACIDA1PJ70.77
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B,C,D1DFO0.77
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B2VMY0.77
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B1JOL0.77
FFO5-FORMYL-6-HYDROFOLIC ACIDA1WOP0.77
COPN-(4-CARBOXY-4-{4-[(2,4-DIAMINO-
PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-
BUTYL)-PHTHALAMIC ACID		A1OHJ0.75
COPN-(4-CARBOXY-4-{4-[(2,4-DIAMINO-
PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-
BUTYL)-PHTHALAMIC ACID		A1OHK0.75
162(2-{2-[(5-CARBAMIMIDOYL-1-METHYL-
1H-PYRROL-3-YLMETHYL)-CARBAMOYL]-
PYRROL-1-YL} -1-CYCLOHEXYLMETHYL-
2-OXO-ETHYLAMINO)-ACETIC ACID		D,H1NZQ0.71
B141-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-
DIFLUOROSPIRO[PIPERIDINE-4,2'(1'H)-
QUINAZOLINE]-4'-AMINE		A,B3E7T0.74