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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02102289

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IGPINDOLE-3-GLYCEROL PHOSPHATEA1A530.89
IGPINDOLE-3-GLYCEROL PHOSPHATEA,B2RHG0.89
IGPINDOLE-3-GLYCEROL PHOSPHATEA,B1KFB0.89
IGPINDOLE-3-GLYCEROL PHOSPHATEA,B2RH90.89
IGPINDOLE-3-GLYCEROL PHOSPHATEA,B1A5B0.89
IGPINDOLE-3-GLYCEROL PHOSPHATEA,B1QOQ0.89
3ID3H-INDOLE-5,6-DIOLA1F9B0.81
3ID3H-INDOLE-5,6-DIOLA1OYO0.81
RXP1-BENZYLOXYCARBONYLAMINO-2-PHENYL-
ETHYL)-{2-[1-CARBAMOYL-2-(1H-INDOL-
3-YL)-ETHYLCARBAMOYL]-5-PHENYL-
PENTYL}-PHOSPHINIC ACID
A,B,C,D,E,F1HV50.71
7NH[2'-HYDROXY-3'-(1H-PYRROLO[3,2-
C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]-
UREA
H2FLR0.78
DTE7-CL-D-TRYPTOPHANA2V7M0.73
C8C2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin-
4(3H)-one
A2VA50.73
SROSEROTONINA,B3BRN0.87
SROSEROTONINA2QEH0.87
TCRCYCLOMETHYLTRYPTOPHANA3AIG0.72
IAVN-[1H-INDOL-3-YL-ACETYL]VALINE ACIDA,B1K7F0.74
PLT[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-
PYRIDIN-4-YLMETHYL]-L-TRYPTOPHANE
B2TYS0.75
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE
A1O3G0.75
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE
A1O3E0.75
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE
H,I1O2G0.75
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE
B1O5A0.75
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE
A1O3F0.75
2S8(2S)-8-[(tert-butoxycarbonyl)amino]-
2-(1H-indol-3-yl)octanoic acid
B3C6N0.76
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.8
HRP5-HYDROXY-L-TRYPTOPHANB1YIA0.8
FT66-FLUORO-L-TRYPTOPHANA,B2NW90.8
ET03-(5-methoxy-1H-indol-3-yl)propanoic acidA,B3ET00.78
SU13-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL-
2-YL)METHYLENE]-2-INDOLINONE
A,B1FGI0.7
RSS5-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA-
12(19),13,15,17-TETRAEN-10-YLCARBAMOYL)-
HEXANOIC ACID
A,B1MMP0.72
VAW(2S,3R,4S)-methyl 4-(2-(2-(1H-indol-
3-yl)ethylamino)ethyl)-2-((2S,3R,4S,5S,6R)-
3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-
2H-pyran-2-yloxy)-3-vinyl-3,4-dihydro-
2H-pyran-5-carboxylate
A,B2VAQ0.72
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AH00.9
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AGZ0.9
TTQ6-AMINO-7-HYDROXY-L-TRYPTOPHAND,H2I0S0.75
TTQ6-AMINO-7-HYDROXY-L-TRYPTOPHAND,H2HXC0.75
IOKN-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-
2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE
A,B2IOK0.73
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGY0.82
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AH00.82
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGX0.82
1TQ6-(FORMYLAMINO)-7-HYDROXY-L-TRYPTOPHAND,H2OK60.74
1TQ6-(FORMYLAMINO)-7-HYDROXY-L-TRYPTOPHAND,H2I0R0.74
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.82
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.82
P831-(9-ethyl-9H-carbazol-3-yl)-N-
methylmethanamine
A,B2VUK0.7
0AF7-hydroxy-L-tryptophanL1MAE0.76
0AF7-hydroxy-L-tryptophanL1MAF0.76
IP6N~3~-[3-(1H-INDOL-6-YL)BENZYL]PYRIDINE-
2,3-DIAMINE
A2OHT0.7
ASEN-ACETYL SEROTONINA1NAS0.83
VX32,3-diphenyl-1H-indole-7-carboxylic acidA3BGZ0.72
FIC5-fluoroindole-2-carboxylic acidA,B3DWS0.73
1157-[3-(4-FLUORO-PHENYL)-1-ISOPROPYL-
1H-INDOL-2-YL]-3,5-DIHYDROXY-HEPTANOIC ACID
A,B,C,D1HWI0.71
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.8
IOS3-SULFOOXY-1H-INDOLEA,B2BXH0.81
1242-(2-HYDROXY-PHENYL)-1H-INDOLE-
5-CARBOXAMIDINE
A1GI60.77
3IL3-(INDOL-3-YL) LACTATEA2A7P0.83
710(5-{3-[5-(PIPERIDIN-1-YLMETHYL)-
1H-INDOL-2-YL]-1H-INDAZOL-6-YL}-
2H-1,2,3-TRIAZOL-4-YL)METHANOL
A2HOG0.71
F8A9-[2-(trifluoromethyl)benzyl]-2,3,4,9-
tetrahydro-1H-carbazole-8-carboxylic acid
A3FR40.72
PATALPHA-PHOSPHONO-TRYPTOPHANA,B1I730.77
IADN-[1H-INDOL-3-YL-ACETYL]ASPARTIC ACIDA,B1K3U0.74
OAI6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACIDA1C830.74
2MI2-METHYL-1H-INDOLEA2PIO0.74
IOPINDOLYLPROPIONIC ACIDA,B1AHF0.81
IOPINDOLYLPROPIONIC ACIDA2OLI0.81
IOPINDOLYLPROPIONIC ACIDA,B2AY50.81
BTR6-BROMO-TRYPTOPHANA1WCT0.75
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K8Z0.74
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K7E0.74
RX3N-({(1S,2R)-2-[(S)-[(1R)-1-{[(BENZYLOXY)CARBONYL]AMINO}-
2-PHENYLETHYL](HYDROXY)PHOSPHORYL]CYCLOPENTYL}CARBONYL)-
L-TRYPTOPHAN
A2OC20.71
0471-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-
1H-INDOL-3-YL]METHYL}METHANAMINE
A,B2PJL0.74
MPE(1H-INDOL-3-YL)-(2-MERCAPTO-ETHOXYIMINO)-
ACETIC ACID
A1M4A0.76
9CA9H-CARBAZOLEA,B,C,D,E,F2DE70.73
GM63-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-
TRP-METHYLAMIDE
A,B2DW00.71
GM63-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-
TRP-METHYLAMIDE
A,B2ERP0.71
GM63-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-
TRP-METHYLAMIDE
A,B2DW10.71
GM63-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-
TRP-METHYLAMIDE
A,B,D,E2E3X0.71
GM63-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-
TRP-METHYLAMIDE
A,B1PWU0.71
HTRBETA-HYDROXYTRYPTOPHANEA,B1QPA0.86
HTRBETA-HYDROXYTRYPTOPHANEA,B1B800.86
HTRBETA-HYDROXYTRYPTOPHANEA1ROV0.86
KAWN-{(5S)-4,4-dihydroxy-6-phenyl-
5-[(phenylcarbonyl)amino]hexanoyl}-
L-tryptophan
A3BKL0.72
IDA(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO-
INDOL-7-YL)ACETIC ACID
A,B1OXL0.72
C80(2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-
BENZYL-1H-INDOLE-3-CARBOXYLATE
C,O2V110.72
CTE7-CHLOROTRYPTOPHANA2AR80.73
CTE7-CHLOROTRYPTOPHANA2V7L0.73
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B,D,H2IUQ0.82
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B2FPB0.82
TSS2-(1H-INDOL-3-YL)ETHANAMINED,H2AGW0.82
TSS2-(1H-INDOL-3-YL)ETHANAMINEA2PQL0.82
8CA9-benzyl-2,3,4,9-tetrahydro-1H-
carbazole-8-carboxylic acid
A3FR20.7
NYC[(4E)-2-[(1R,2S)-1-AMINO-2-HYDROXYPROPYL]-
4-(1H-INDOL-3-YLMETHYLENE)-5-OXO-
4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID
A2Q570.73
NYC[(4E)-2-[(1R,2S)-1-AMINO-2-HYDROXYPROPYL]-
4-(1H-INDOL-3-YLMETHYLENE)-5-OXO-
4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID
A1OXE0.73
NYC[(4E)-2-[(1R,2S)-1-AMINO-2-HYDROXYPROPYL]-
4-(1H-INDOL-3-YLMETHYLENE)-5-OXO-
4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID
A1OXD0.73
6CW6-CHLORO-L-TRYPTOPHANB2GV20.75
6CW6-CHLORO-L-TRYPTOPHANA,B2AXI0.75
6CW6-CHLORO-L-TRYPTOPHANA,L,M3FEA0.75
LTNL-TRYPTOPHANAMIDEA1MAU0.77
LTNL-TRYPTOPHANAMIDEA,B2QUI0.77
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDA,B,C,D1XES0.79
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDB,C,D1XET0.79
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,M1K830.79
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,
M,T
2VUM0.79
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,M3CQZ0.79
TOX2-AMINO-3-(1-HYDROPEROXY-1H-INDOL-
3-YL)PROPAN-1-OL
A,B2DV20.82
TOX2-AMINO-3-(1-HYDROPEROXY-1H-INDOL-
3-YL)PROPAN-1-OL
A,B2FXJ0.82
7833-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-5-METHOXY-1,1'-BIPHENYL-2-
OLATE
A1O2T0.7
HRM7-METHOXY-1-METHYL-9H-BETA-CARBOLINEA2Z5X0.76
HRM7-METHOXY-1-METHYL-9H-BETA-CARBOLINEA2Z5Y0.76
IMQ(2R,3R,4S)-2-(hydroxymethyl)-1-
(quinolin-8-ylmethyl)pyrrolidine-
3,4-diol
A,B3EPX0.72
TRWTRW3-(2-AMINO-3-HYDROXY-PROPYL)-
6-(N'-CYCLOHEXYL-HYDRAZINO)OCTAHYDRO-
INDOL-7-OL
A,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1MG30.72
TRWTRW3-(2-AMINO-3-HYDROXY-PROPYL)-
6-(N'-CYCLOHEXYL-HYDRAZINO)OCTAHYDRO-
INDOL-7-OL
A,B,C1PBY0.72
N5I1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-
ERYTHRO-PENTOFURANOSYL)-5-NITRO-
1H-INDOLE
A,C,E,F,I,J,K2OYQ0.7
39Z5-HYDROXY-3-[(1R)-1-(1H-PYRROL-
2-YL)ETHYL]-2H-INDOL-2-ONE
A2PE00.7
CRF[2-(1-AMINO-2-HYDROXY-PROPYL)-4-
(1H-INDOL-3-YLMETHYLENE)-5-OXO-
4,5-DIHYDRO-IMIDAZOL-1-YL]-ACETALDEHYDE
A1CV70.74
P13N-[2-(3-AMINOPROPOXY)-5-(1H-INDOL-
5-YL)BENZYL]-N-(2-PIPERAZIN-1-YLETHYL)AMINE
B1UTS0.76
4EA(1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)-
2-PYRIDIN-4-YLVINYL]PYRIDIN-3-YL}OXY)METHYL]ETHYLAMINE
E2F7X0.75
9072-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-6-BROMO-4-METHYLBENZENOLATE
A1O3I0.7
9072-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-6-BROMO-4-METHYLBENZENOLATE
A1O3H0.7
DTRD-TRYPTOPHANA,B,C,D2R3C0.79
DTRD-TRYPTOPHANA1XY80.79
DTRD-TRYPTOPHANA,B,C,H,K,L2R5D0.79
DTRD-TRYPTOPHANA2V7K0.79
DTRD-TRYPTOPHANA,D1CZQ0.79
DTRD-TRYPTOPHANA1DFY0.79
DTRD-TRYPTOPHANA1XY50.79
DTRD-TRYPTOPHANA1NXN0.79
DTRD-TRYPTOPHANA1TKF0.79
DTRD-TRYPTOPHANA1YL90.79
DTRD-TRYPTOPHANA1XXZ0.79
DTRD-TRYPTOPHANA1XY40.79
DTRD-TRYPTOPHANA,D2Q3I0.79
DTRD-TRYPTOPHANA1QFB0.79
DTRD-TRYPTOPHANA1DFZ0.79
DTRD-TRYPTOPHANA1XY90.79
DTRD-TRYPTOPHANA1XY60.79
DTRD-TRYPTOPHANA2SOC0.79
DTRD-TRYPTOPHANA2JUE0.79
DTRD-TRYPTOPHANA1SOC0.79
DTRD-TRYPTOPHANA1YL80.79
DTRD-TRYPTOPHANA,B,C,D,E,F,
G,H
1DDO0.79
DTRD-TRYPTOPHANA,B2Q330.79
DTRD-TRYPTOPHANA1DG00.79
DTRD-TRYPTOPHANA,B,C,H,K,L2R5B0.79
ML2N-[2-(2-iodo-5-methoxy-1H-indol-
3-yl)ethyl]acetamide
A,B2QX90.73
ML2N-[2-(2-iodo-5-methoxy-1H-indol-
3-yl)ethyl]acetamide
A,B2QX80.73
PZZ3-{3-[(DIMETHYLAMINO)METHYL]-1H-
INDOL-7-YL}PROPAN-1-OL
A2QHW0.83
4MF1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-
ERYTHRO-PENTOFURANOSYL)-4-METHYL-
1H-INDOLE
C2OXM0.74
4MF1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-
ERYTHRO-PENTOFURANOSYL)-4-METHYL-
1H-INDOLE
B,C2OYT0.74
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.83
TPLTRYPTOPHANOLA1EE70.87
4HT4-HYDROXYTRYPTOPHANH,L1RU90.79
4HT4-HYDROXYTRYPTOPHANH,L1RUM0.79
4HT4-HYDROXYTRYPTOPHANH,L1RUL0.79
4HT4-HYDROXYTRYPTOPHANH,L1RUA0.79
ML1N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamideA,B2QX40.78
ML1N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamideA,B2QX60.78
ML1N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamideA,B2QWX0.78
IAC1H-INDOL-3-YLACETIC ACIDB2P1Q0.81
IAC1H-INDOL-3-YLACETIC ACIDA2OYF0.81
IAC1H-INDOL-3-YLACETIC ACIDA,B3FVU0.81
IAC1H-INDOL-3-YLACETIC ACIDB2P1P0.81
ITRIMINO-TRYPTOPHANA,B,C,D,E,F,
G,H
1DDO0.8
TSR2-(1H-INDOL-3-YL)ACETAMIDED,H2OJY0.77
TSR2-(1H-INDOL-3-YL)ACETAMIDEA,D,H2OIZ0.77
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1FUY0.84
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1A500.84
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1A5S0.84
1326-CHLORO-2-(2-HYDROXY-BIPHENYL-
3-YL)-1H-INDOLE-5-CARBOXAMIDINE
H1O5E0.72
1326-CHLORO-2-(2-HYDROXY-BIPHENYL-
3-YL)-1H-INDOLE-5-CARBOXAMIDINE
B1GJ70.72
1326-CHLORO-2-(2-HYDROXY-BIPHENYL-
3-YL)-1H-INDOLE-5-CARBOXAMIDINE
H,I1GJ40.72
1326-CHLORO-2-(2-HYDROXY-BIPHENYL-
3-YL)-1H-INDOLE-5-CARBOXAMIDINE
A1GJ60.72
CAU(2S)-1-(9H-Carbazol-4-yloxy)-3-
(isopropylamino)propan-2-ol
A2RH10.73
IPFN-ACETYLTRYPTOPHYL-N~1~-{3-[1-(N-
ACETYLTRYPTOPHYLVALYL)PYRROLIDIN-
2-YL]-1-BENZYL-2,3-DIHYDROXYPROPYL}VALINAMIDE
A,B2A1E0.7
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.8
5ZA(5Z)-2-[(1S,2R)-1-AMINO-2-HYDROXYPROPYL]-
5-[(4-AMINO-1H-INDOL-3-YL)METHYLENE]-
3-(2-HYDROXYETHYL)-3,5-DIHYDRO-
4H-IMIDAZOL-4-ONE
A1OXF0.72
MIB(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-
3-EN-2-ONE
A1ZS50.75
4IN4-AMINO-L-TRYPTOPHANA,B2HXX0.77
4IN4-AMINO-L-TRYPTOPHANA1OXF0.77
CRZ4-(9H-CARBAZOL-9-YL)BUTANOIC ACIDA1TOW0.71
INDINDOLEA1L4H0.81
INDINDOLEA,B,G1O7N0.81
INDINDOLEA185L0.81
INDINDOLEA,B1EG90.81
INDINDOLEA,B1UUV0.81
INDINDOLEA,C,E2B240.81
INDINDOLEA,B,C,D,E,F2P850.81
CRR3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-
2,5-DICARBOXYLIC ACID
A2Z3U0.74
TRFN1-FORMYL-TRYPTOPHANA,B1VRK0.75
TRFN1-FORMYL-TRYPTOPHANA,B,C,D1QS70.75
3LP1-(CYCLOHEXYLAMINO)-3-(6-METHYL-
3,4-DIHYDRO-1H-CARBAZOL-9(2H)-YL)PROPAN-
2-OL
A,B,C,D,E,F2P6G0.75
9HP9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINEA1PMU0.71
6IP6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-
2-AMINE
A2OHP0.74
4FW4-FLUOROTRYPTOPHANEA1RM90.8
6EA(1S)-1-(1H-INDOL-3-YLMETHYL)-2-
(2-PYRIDIN-4-YL-[1,7]NAPHTYRIDIN-
5-YLOXY)-EHYLAMINE
E2F7Z0.71
FTRFLUOROTRYPTOPHANEA2JT80.8
FTRFLUOROTRYPTOPHANEA,B1NF00.8
FTRFLUOROTRYPTOPHANEA2JTZ0.8
FTRFLUOROTRYPTOPHANEA,B1I450.8
FTRFLUOROTRYPTOPHANEA,B2ZNX0.8
FTRFLUOROTRYPTOPHANEA,B1NEY0.8
FTRFLUOROTRYPTOPHANEA,B5FWG0.8
I3A1H-INDOLE-3-CARBALDEHYDEA,B,C,D3BWL0.75
I3A1H-INDOLE-3-CARBALDEHYDEA,B2OU30.75
TRO2-HYDROXY-TRYPTOPHANA1KB00.75
TRO2-HYDROXY-TRYPTOPHANA1G3P0.75
DFN3-[3-(2,3-DIHYDROXY-PROPYLAMINO)-
PHENYL]-4-(5-FLUORO-1-METHYL-1H-
INDOL-3-YL)-PYRROLE-2,5-DIONE
A,B1R0E0.72
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1BEU0.83
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1QOP0.83
IPLINDOLE-3-PROPANOL PHOSPHATEA,B2TRS0.83
IPLINDOLE-3-PROPANOL PHOSPHATEA1WXJ0.83
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1KFC0.83
MDL[DEHYDROXY-N-METHYL-TYROSYL-PROLINYL]-
[4,4,5,5,5-PENTAFLUORO-3-OXY-1-
[3-INDOLYL]-PENT-2-YL]AMINE
H,I1AD80.72