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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02192803

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IQUN-(2-AMINOETHYL)ISOQUINOLINE-5-
SULFONAMIDE		A,B,C,D2CKE0.7
3IL3-(INDOL-3-YL) LACTATEA2A7P0.71
IP6N~3~-[3-(1H-INDOL-6-YL)BENZYL]PYRIDINE-
2,3-DIAMINE		A2OHT0.75
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEB1C5Y0.71
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEA1C5U0.71
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEA1C5T0.71
P831-(9-ethyl-9H-carbazol-3-yl)-N-
methylmethanamine		A,B2VUK0.75
PATALPHA-PHOSPHONO-TRYPTOPHANA,B1I730.73
6IP6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-
2-AMINE		A2OHP0.81
QMSN-(QUINOLIN-8-YL)METHANESULFONAMIDEA2BB70.72
9CA9H-CARBAZOLEA,B,C,D,E,F2DE70.77
PPX[PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN-
4-YLAMINO)-ETHYL]-AMINE		E,H1QBV0.71
SU13-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL-
2-YL)METHYLENE]-2-INDOLINONE		A,B1FGI0.72
C4EN-phenyl-1H-pyrrolo[2,3-b]pyridin-
3-amine		A,B,C,D3C4E0.74
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.87
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.8
ITRIMINO-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.77
3LP1-(CYCLOHEXYLAMINO)-3-(6-METHYL-
3,4-DIHYDRO-1H-CARBAZOL-9(2H)-YL)PROPAN-
2-OL		A,B,C,D,E,F2P6G0.71
DPT4,7-DIMETHYL-[1,10]PHENANTHROLINEA,B1I530.7
INDINDOLEA1L4H0.89
INDINDOLEA,B,G1O7N0.89
INDINDOLEA185L0.89
INDINDOLEA,B1EG90.89
INDINDOLEA,B1UUV0.89
INDINDOLEA,C,E2B240.89
INDINDOLEA,B,C,D,E,F2P850.89
5171-{2-OXO-3-[(1R)-1-(1H-PYRROL-2-
YL)ETHYL]-2H-INDOL-5-YL}UREA		A2PE10.76
LIG3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-
.C.]PYRAZOLE		P1JVP0.75
ASEN-ACETYL SEROTONINA1NAS0.71
IADN-[1H-INDOL-3-YL-ACETYL]ASPARTIC ACIDA,B1K3U0.72
2755-amino-1,2-dimethylpyridiniumX2RBW0.72
IAC1H-INDOL-3-YLACETIC ACIDB2P1Q0.74
IAC1H-INDOL-3-YLACETIC ACIDA2OYF0.74
IAC1H-INDOL-3-YLACETIC ACIDA,B3FVU0.74
IAC1H-INDOL-3-YLACETIC ACIDB2P1P0.74
BI33-[1-(3-AMINOPROPYL)-1H-INDOL-3-
YL]-4-(1H-INDOL-3-YL)-1H-PYRROLE-
2,5-DIONE		A1UU90.71
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA1D300.75
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA432D0.75
IAVN-[1H-INDOL-3-YL-ACETYL]VALINE ACIDA,B1K7F0.73
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AH00.8
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AGZ0.8
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B,D,H2IUQ0.89
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B2FPB0.89
TSS2-(1H-INDOL-3-YL)ETHANAMINED,H2AGW0.89
TSS2-(1H-INDOL-3-YL)ETHANAMINEA2PQL0.89
I3A1H-INDOLE-3-CARBALDEHYDEA,B,C,D3BWL0.76
I3A1H-INDOLE-3-CARBALDEHYDEA,B2OU30.76
LTNL-TRYPTOPHANAMIDEA1MAU0.81
LTNL-TRYPTOPHANAMIDEA,B2QUI0.81
SM5(1E)-5-(1-piperidin-4-yl-3-pyridin-
4-yl-1H-pyrazol-4-yl)-2,3-dihydro-
1H-inden-1-one oxime		A,B3D4Q0.76
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.75
APY2-AMINOMETHYL-PYRIDINEI1IVP0.75
C8C2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin-
4(3H)-one		A2VA50.78
8IPN~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-
2,3-DIAMINE		A2OHR0.71
MDL[DEHYDROXY-N-METHYL-TYROSYL-PROLINYL]-
[4,4,5,5,5-PENTAFLUORO-3-OXY-1-
[3-INDOLYL]-PENT-2-YL]AMINE		H,I1AD80.71
TOX2-AMINO-3-(1-HYDROPEROXY-1H-INDOL-
3-YL)PROPAN-1-OL		A,B2DV20.78
TOX2-AMINO-3-(1-HYDROPEROXY-1H-INDOL-
3-YL)PROPAN-1-OL		A,B2FXJ0.78
9DA9-DEAZAADENINEA1L1R0.7
9DA9-DEAZAADENINEA1L1Q0.7
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.7
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.73
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDA,B,C,D1XES0.73
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDB,C,D1XET0.73
6CW6-CHLORO-L-TRYPTOPHANB2GV20.71
6CW6-CHLORO-L-TRYPTOPHANA,B2AXI0.71
6CW6-CHLORO-L-TRYPTOPHANA,L,M3FEA0.71
3AP3-AMINOPYRIDINEA1AEF0.74
F102-[2-(2-FLUOROPHENYL)PYRIDIN-4-
YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-
C]PYRIDIN-4-ONE		X2P3G0.75
PZZ3-{3-[(DIMETHYLAMINO)METHYL]-1H-
INDOL-7-YL}PROPAN-1-OL		A2QHW0.77
CLQN4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-
DIETHYL-PENTANE-1,4-DIAMINE		A1CET0.71
3MP3-METHYLPYRIDINEA1EUB0.72
3MP3-METHYLPYRIDINEA1BM60.72
4FW4-FLUOROTRYPTOPHANEA1RM90.75
FTRFLUOROTRYPTOPHANEA2JT80.75
FTRFLUOROTRYPTOPHANEA,B1NF00.75
FTRFLUOROTRYPTOPHANEA2JTZ0.75
FTRFLUOROTRYPTOPHANEA,B1I450.75
FTRFLUOROTRYPTOPHANEA,B2ZNX0.75
FTRFLUOROTRYPTOPHANEA,B1NEY0.75
FTRFLUOROTRYPTOPHANEA,B5FWG0.75
RKAN,N'-(1H-PYRROLE-2,5-DIYLDI-4,1-
PHENYLENE)DIBENZENECARBOXIMIDAMIDE		A2GYX0.72
TSR2-(1H-INDOL-3-YL)ACETAMIDED,H2OJY0.81
TSR2-(1H-INDOL-3-YL)ACETAMIDEA,D,H2OIZ0.81
IQSN-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDEE1YDS0.7
MHC3-MERCAPTO-1-(1,3,4,9-TETRAHYDRO-
B-CARBOLIN-2-YL)-PROPAN-1-ONE		A1NBP0.73
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.74
1SQISOQUINOLIN-1-AMINEA2OHK0.71
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A2GNF0.71
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A2H9V0.71
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A,B2ETR0.71
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A2GNJ0.71
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A1Q8T0.71
7933-{[(1R)-1-phenylethyl]amino}-4-
(pyridin-4-ylamino)cyclobut-3-ene-
1,2-dione		A3FPM0.72
GG54-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-
4-YL]PYRIDINE		A3HVC0.77
GM63-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-
TRP-METHYLAMIDE		A,B2DW00.76
GM63-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-
TRP-METHYLAMIDE		A,B2ERP0.76
GM63-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-
TRP-METHYLAMIDE		A,B2DW10.76
GM63-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-
TRP-METHYLAMIDE		A,B,D,E2E3X0.76
GM63-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-
TRP-METHYLAMIDE		A,B1PWU0.76
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE		A,B2ET00.75
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1FUY0.77
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1A500.77
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1A5S0.77
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K8Z0.76
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K7E0.76
23M2-(3-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE		A2G5N0.75
39Z5-HYDROXY-3-[(1R)-1-(1H-PYRROL-
2-YL)ETHYL]-2H-INDOL-2-ONE		A2PE00.72
CPZ4-(4-CHLOROPHENYL)IMIDAZOLEA1SUO0.72
FPH3-(4-FLUOROPHENYL)-2-PYRIDIN-4-
YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL		A1OZ10.77
2MI2-METHYL-1H-INDOLEA2PIO0.81
DTRD-TRYPTOPHANA,B,C,D2R3C0.76
DTRD-TRYPTOPHANA1XY80.76
DTRD-TRYPTOPHANA,B,C,H,K,L2R5D0.76
DTRD-TRYPTOPHANA2V7K0.76
DTRD-TRYPTOPHANA,D1CZQ0.76
DTRD-TRYPTOPHANA1DFY0.76
DTRD-TRYPTOPHANA1XY50.76
DTRD-TRYPTOPHANA1NXN0.76
DTRD-TRYPTOPHANA1TKF0.76
DTRD-TRYPTOPHANA1YL90.76
DTRD-TRYPTOPHANA1XXZ0.76
DTRD-TRYPTOPHANA1XY40.76
DTRD-TRYPTOPHANA,D2Q3I0.76
DTRD-TRYPTOPHANA1QFB0.76
DTRD-TRYPTOPHANA1DFZ0.76
DTRD-TRYPTOPHANA1XY90.76
DTRD-TRYPTOPHANA1XY60.76
DTRD-TRYPTOPHANA2SOC0.76
DTRD-TRYPTOPHANA2JUE0.76
DTRD-TRYPTOPHANA1SOC0.76
DTRD-TRYPTOPHANA1YL80.76
DTRD-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.76
DTRD-TRYPTOPHANA,B2Q330.76
DTRD-TRYPTOPHANA1DG00.76
DTRD-TRYPTOPHANA,B,C,H,K,L2R5B0.76
NTNISONICOTINAMIDINEA7ADH0.72
5IQISOQUINOLIN-5-AMINEA,B2F2T0.77
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGY0.89
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AH00.89
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGX0.89
5BPN-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-
3-ylpyrimidin-2-amine		A,C3EJ10.7
4IN4-AMINO-L-TRYPTOPHANA,B2HXX0.74
4IN4-AMINO-L-TRYPTOPHANA1OXF0.74
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.73
BI13-{1-[3-(DIMETHYLAMINO)PROPYL]-
1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE		A1XWS0.71
BI13-{1-[3-(DIMETHYLAMINO)PROPYL]-
1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE		B2BIK0.71
BI13-{1-[3-(DIMETHYLAMINO)PROPYL]-
1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE		A1ZRZ0.71
BI13-{1-[3-(DIMETHYLAMINO)PROPYL]-
1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE		B2BIL0.71
BI13-{1-[3-(DIMETHYLAMINO)PROPYL]-
1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE		A1UU80.71
AUP2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-
TETRAHYDRO-2H-ISOPHOSPHINDOL-1-
YL)PYRIDINE		A2AAQ0.76
STS2-[(1S)-1-BENZYL-2-SULFANYLETHYL]-
1H-IMIDAZO[4,5-C]PYRIDIN-5-IUM		A1Y8J0.72
EPJEPIBATIDINEA,B,C,D,E2BYQ0.75
MIB(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-
3-EN-2-ONE		A1ZS50.77
0471-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-
1H-INDOL-3-YL]METHYL}METHANAMINE		A,B2PJL0.79
TRFN1-FORMYL-TRYPTOPHANA,B1VRK0.7
TRFN1-FORMYL-TRYPTOPHANA,B,C,D1QS70.7
5MP5-METHYLPYRROLEA1LI60.71
ABI5-AMIDINO-BENZIMIDAZOLEA1C2K0.73
P4O2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-
1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-
C]PYRIDIN-4-ONE		A2JBO0.71
P4O2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-
1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-
C]PYRIDIN-4-ONE		A,B,C,D,E,F,
G,H,I,K,L		2JBP0.71
PIQ2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-
B]PYRIDINE		A,B2QXM0.71
PIQ2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-
B]PYRIDINE		A1HZ00.71
LL13-pyridin-4-yl-1H-indazoleA3DNE0.79
BTR6-BROMO-TRYPTOPHANA1WCT0.71
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.78
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.78
FT66-FLUORO-L-TRYPTOPHANA,B2NW90.75
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.73
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.73
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1BEU0.79
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1QOP0.79
IPLINDOLE-3-PROPANOL PHOSPHATEA,B2TRS0.79
IPLINDOLE-3-PROPANOL PHOSPHATEA1WXJ0.79
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1KFC0.79
2461-benzyl-3-(2-chloropyridin-4-yl)ureaA2QPM0.71
251N-[amino(imino)methyl]-2-(2,5-diphenyl-
1H-pyrrol-1-yl)acetamide		A2QU20.71
TPLTRYPTOPHANOLA1EE70.81
PBG3-[5-(AMINOMETHYL)-4-(CARBOXYMETHYL)-
1H-PYRROL-3-YL]PROPANOIC ACID		A,B1E510.7
PBG3-[5-(AMINOMETHYL)-4-(CARBOXYMETHYL)-
1H-PYRROL-3-YL]PROPANOIC ACID		A1OHL0.7
IOS3-SULFOOXY-1H-INDOLEA,B2BXH0.72
2862-ethenyl-1-methylpyridiniumX2RC20.72
IOPINDOLYLPROPIONIC ACIDA,B1AHF0.77
IOPINDOLYLPROPIONIC ACIDA2OLI0.77
IOPINDOLYLPROPIONIC ACIDA,B2AY50.77
22M2-(2-METHYLPHENYL)-1H-INDOLE-6-
CARBOXIMIDAMIDE		A2G5V0.74
GVH1H-PYRROLO[2,3-B]PYRIDINEA2UVX0.75
IGPINDOLE-3-GLYCEROL PHOSPHATEA1A530.71
IGPINDOLE-3-GLYCEROL PHOSPHATEA,B2RHG0.71
IGPINDOLE-3-GLYCEROL PHOSPHATEA,B1KFB0.71
IGPINDOLE-3-GLYCEROL PHOSPHATEA,B2RH90.71
IGPINDOLE-3-GLYCEROL PHOSPHATEA,B1A5B0.71
IGPINDOLE-3-GLYCEROL PHOSPHATEA,B1QOQ0.71
ISQISOQUINOLINEA1GDK0.74
AYM3-(6-AMINOPYRIDIN-3-YL)-N-METHYL-
N-[(1-METHYL-1H-INDOL-2-YL)METHYL]ACRYLAMIDE		A,B1LXC0.71
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.71
4AP4-AMINOPYRIDINEA1AEG0.74
PHN1,10-PHENANTHROLINEA1LIH0.71
PHN1,10-PHENANTHROLINEA2LIG0.71
PHN1,10-PHENANTHROLINEA,B2FU70.71
5BN5-[(2-AMINOETHYL)AMINO]-6-FLUORO-
3-(1H-PYRROL-2-YL)BENZO[CD]INDOL-
2(1H)-ONE		A1P2A0.71
PF74-(quinolin-3-ylmethyl)piperidine-
1-carboxylic acid		A,B2VYA0.7
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T		1UW60.78
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.78
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.78
RW14-phenylpyrimidineA,B,C3B9S0.71
DMD5,6-DIMETHYLBENZIMIDAZOLEA1D0S0.73
PY14-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-
YL)QUINOLINE		A1PY50.71
RRSN4-HYDROXY-2-ISOBUTYL-N1-(9-OXO-
1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA-
12(19),13,15,17-TETRAEN-10-YL)-
SUCCINAMIDE		A1MMQ0.73
A8NN-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-
1,8-DIAMINOOCTANE		A1UT60.73
MI22-(2-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE		A2G8T0.74
PIM4-PHENYL-1H-IMIDAZOLEA,B2D0T0.78
PIM4-PHENYL-1H-IMIDAZOLEA1E9X0.78
PIM4-PHENYL-1H-IMIDAZOLEA1PHD0.78
PIM4-PHENYL-1H-IMIDAZOLEA,B,C,D2RFC0.78
PIM4-PHENYL-1H-IMIDAZOLEA1ODO0.78
PIM4-PHENYL-1H-IMIDAZOLEA3E5K0.78
PIM4-PHENYL-1H-IMIDAZOLEA1PHE0.78
PIM4-PHENYL-1H-IMIDAZOLEA,B1F4T0.78
PIM4-PHENYL-1H-IMIDAZOLEA1S1F0.78
PIM4-PHENYL-1H-IMIDAZOLEA1PHF0.78
SROSEROTONINA,B3BRN0.74
SROSEROTONINA2QEH0.74
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.72
AGE(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-
1H-pyrrol-2-yl]prop-2-enamide		A,B,C3F070.74
JI2N-{(3S,4S)-4-[(6-aminopyridin-2-
yl)methyl]pyrrolidin-3-yl}ethane-
1,2-diamine		A,B3B3N0.7
JI2N-{(3S,4S)-4-[(6-aminopyridin-2-
yl)methyl]pyrrolidin-3-yl}ethane-
1,2-diamine		A,B3DQR0.7
5MB5-METHYLBENZIMIDAZOLEA1JHM0.74
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.77
MPE(1H-INDOL-3-YL)-(2-MERCAPTO-ETHOXYIMINO)-
ACETIC ACID		A1M4A0.7