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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00045268

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
I4A5-(3-carbamoylbenzyl)-5,6,7,8,9,10-
hexahydrocyclohepta[b]indole-4-
carboxylic acid		A3FR50.75
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDA,B,C,D1XES0.7
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDB,C,D1XET0.7
24XH,L2EC90.76
PRR3-(METHYL-PYRIDINIUM)ALANINEH,I,J7KME0.76
HTRBETA-HYDROXYTRYPTOPHANEA,B1QPA0.71
HTRBETA-HYDROXYTRYPTOPHANEA,B1B800.71
HTRBETA-HYDROXYTRYPTOPHANEA1ROV0.71
1167-[4-(4-FLUORO-PHENYL)-5-HYDROXYMETHYL-
2,6-DIISOPROPYL-PYRIDIN-3-YL]-3,5-
DIHYDROXY-HEPTANOIC ACID		A,B,C,D1HWJ0.7
BRFA1UUO0.73
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE		A,B2G970.71
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE		A,B2GVJ0.71
BMSA,B1DKF0.75
BP53-(2,2'-BIPYRIDIN-5-YL)-L-ALANINEA2PXH0.76
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B,C2W2I0.77
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA2GKL0.77
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2VD70.77
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2JIG0.77
LG26-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-
TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-
3-CARBOXYLIC ACID		A,B,C,D1H9U0.86
CRR3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-
2,5-DICARBOXYLIC ACID		A2Z3U0.71
NTMQUINOLINIC ACIDA3C2O0.82
NTMQUINOLINIC ACIDA,B1QAP0.82
NTMQUINOLINIC ACIDA,B,C,D,E,F1QPQ0.82
NTMQUINOLINIC ACIDA,B,C2B7N0.82
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID		C2JQ70.72
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID		B1OLN0.72
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID		A1E9W0.72
NA44-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)-
PYRIDIN-3-YL]-BENZOIC ACID		A,C1RHM0.85
PBO1-PYRIDIN-3-YLBUTAN-1-ONEA1PYJ0.76
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID		D,H2I0T0.73
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID		A,B,C,D,K,L,
M,N		2J570.73
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID		D,H2OK40.73
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID		D,H2IUR0.73
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID		D,H2AGW0.73
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID		A,B,H,L,M2J560.73
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID		D,H2IUV0.73
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID		D,H2OK60.73
4PPC,L1XKA0.76
4PPA,B,C,D1XKB0.76
PYF3-PYRIDINYLCARBINOLA,B1R160.73
NCNNICOTINATE MONONUCLEOTIDEA,B2QTN0.74
NCNNICOTINATE MONONUCLEOTIDEA1L4F0.74
NCNNICOTINATE MONONUCLEOTIDEA1L4L0.74
NCNNICOTINATE MONONUCLEOTIDEA,B,C,D1YUM0.74
NCNNICOTINATE MONONUCLEOTIDEA1L4M0.74
NCNNICOTINATE MONONUCLEOTIDEA,B,C,D,E,F1QPN0.74
NCNNICOTINATE MONONUCLEOTIDEA,B,C2B7Q0.74
NCNNICOTINATE MONONUCLEOTIDEA1L4K0.74
NCNNICOTINATE MONONUCLEOTIDEA1L4G0.74
NCNNICOTINATE MONONUCLEOTIDEA1YTK0.74
NCNNICOTINATE MONONUCLEOTIDEA1L4H0.74
NCNNICOTINATE MONONUCLEOTIDEA1L5O0.74
VX32,3-diphenyl-1H-indole-7-carboxylic acidA3BGZ0.75
FXVMETHYL-3-(4'-N-OXOPYRIDYLPHENOYL)-
3-METHYL-2-(M-AMIDINOBENZYL)-PROPIONATE		A1KSN0.72
OAI6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACIDA1C830.73
PBG3-[5-(AMINOMETHYL)-4-(CARBOXYMETHYL)-
1H-PYRROL-3-YL]PROPANOIC ACID		A,B1E510.71
PBG3-[5-(AMINOMETHYL)-4-(CARBOXYMETHYL)-
1H-PYRROL-3-YL]PROPANOIC ACID		A1OHL0.71
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid		A,B2QYN0.76
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid		A,B2QYK0.76
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid		A2QYL0.76
PM21-[3-(1-{[5-(2-PHENYLETHYL)PYRIDIN-
3-YL]CARBONYL}PIPERIDIN-4-YL)PHENYL]METHANAMINE		A,B,C,D2BM20.74
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.71
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.78
D3EN-cyclopropyl-N-(trans-4-pyridin-
3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-
1-hydroxy-1-methylethyl]benzamide		A,B,C,D3D3E0.79
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PC20.71
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B,C,D1ARZ0.71
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PE70.71
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PES0.71
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B1C3V0.71
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B1P9L0.71
MMG4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-
3-yl)benzoic acid		A3HDM0.74
QNDQUINALDIC ACIDA,B1IDA0.76
IAC1H-INDOL-3-YLACETIC ACIDB2P1Q0.72
IAC1H-INDOL-3-YLACETIC ACIDA2OYF0.72
IAC1H-INDOL-3-YLACETIC ACIDA,B3FVU0.72
IAC1H-INDOL-3-YLACETIC ACIDB2P1P0.72
PXG3-[O-PHOSPHONOPYRIDOXYL]--AMINO-
BENZOIC ACID		A1B9I0.73
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.71
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.71
MYTMETYRAPONEA1PHG0.76
MYTMETYRAPONEA1W0G0.76
NFL2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACIDA1TD70.79
D2GN-METHYL(5-(PYRIDIN-3-YL)FURAN-
2-YL)METHANAMINE		A,B,C,D2FDV0.74
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.71
ARH3-(HYDROXYMETHYL)-1-METHYL-5-(2-
METHYLAZIRIDIN-1-YL)-2-PHENYL-1H-
INDOLE-4,7-DIONE		A,B,C,D1H690.73
P10[1-(3-HYDROXY-2-OXO-1-PHENETHYL-
PROPYLCARBAMOYL)2-PHENYL-ETHYL]-
CARBAMIC ACID PYRIDIN-4-YLMETHYL ESTER		A1ME30.72
BRE2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-
QUINOLINE-4-CARBOXYLIC ACID		A1D3G0.73
HQA3-(8-hydroxyquinolin-3-yl)-L-alanineA,B3FCA0.75
PAA(N-METHYLPYRIDYL)ACETIC ACIDI1HBT0.77
DTRD-TRYPTOPHANA,B,C,D2R3C0.71
DTRD-TRYPTOPHANA1XY80.71
DTRD-TRYPTOPHANA,B,C,H,K,L2R5D0.71
DTRD-TRYPTOPHANA2V7K0.71
DTRD-TRYPTOPHANA,D1CZQ0.71
DTRD-TRYPTOPHANA1DFY0.71
DTRD-TRYPTOPHANA1XY50.71
DTRD-TRYPTOPHANA1NXN0.71
DTRD-TRYPTOPHANA1TKF0.71
DTRD-TRYPTOPHANA1YL90.71
DTRD-TRYPTOPHANA1XXZ0.71
DTRD-TRYPTOPHANA1XY40.71
DTRD-TRYPTOPHANA,D2Q3I0.71
DTRD-TRYPTOPHANA1QFB0.71
DTRD-TRYPTOPHANA1DFZ0.71
DTRD-TRYPTOPHANA1XY90.71
DTRD-TRYPTOPHANA1XY60.71
DTRD-TRYPTOPHANA2SOC0.71
DTRD-TRYPTOPHANA2JUE0.71
DTRD-TRYPTOPHANA1SOC0.71
DTRD-TRYPTOPHANA1YL80.71
DTRD-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.71
DTRD-TRYPTOPHANA,B2Q330.71
DTRD-TRYPTOPHANA1DG00.71
DTRD-TRYPTOPHANA,B,C,H,K,L2R5B0.71
8CA9-benzyl-2,3,4,9-tetrahydro-1H-
carbazole-8-carboxylic acid		A3FR20.78
ITRIMINO-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.71
NIXNALIDIXIC ACIDA,B2BQ20.72
D1GN,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN-
2-YL)METHANAMINE		A,B,C,D2FDU0.75
D3G(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINEA,B,C,D2FDW0.75
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		B,C,D,F,G,H,
J,K,L,N,O,P		2GC40.74
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		A,B,H,L,M2J550.74
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		D,H2Q7Q0.74
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		A,G1JMZ0.74
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		B,C,E,G,I2H470.74
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		A,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		1MG20.74
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		B,D,F,H,J,L,
N,P		2GC70.74
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		D,H2OJY0.74
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		D,H2IUP0.74
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		D,H2AGX0.74
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		A,D,H2HJ40.74
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		D,H2HKR0.74
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		D,H2AGZ0.74
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		B,C,E,F2H3X0.74
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		A,B,D,H2IUQ0.74
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		A,G1JMX0.74
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		A,D,H2HJB0.74
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		A,C,H,L2MTA0.74
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		A,D,H2OIZ0.74
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		A,B,L,M3C750.74
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		D,H2AH00.74
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		A,B,C1JJU0.74
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		A,B,L,M1MDA0.74
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		D,H2HKM0.74
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		D,H2AGY0.74
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		L,M2BBK0.74
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		L2MAD0.74
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		D,H2AGL0.74
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		B,C,E2IAA0.74
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		D,H2AH10.74
NNO6-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCK0.8
NNO6-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCM0.8
368(1R)-2-{[AMINO(IMINO)METHYL]AMINO}-
1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE		A1ZLR0.76
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.7
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.7
1IQ2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5-
DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE-
3-CARBOXYLIC ACID		A1Z8N0.72
IOPINDOLYLPROPIONIC ACIDA,B1AHF0.72
IOPINDOLYLPROPIONIC ACIDA2OLI0.72
IOPINDOLYLPROPIONIC ACIDA,B2AY50.72
NCANICOTINAMIDEA,B2E5D0.71
NCANICOTINAMIDEA,B,C,D2Z770.71
NCANICOTINAMIDEA,B1DMA0.71
NCANICOTINAMIDEA,B1ISM0.71
NCANICOTINAMIDEA,B1YC50.71
NCANICOTINAMIDEA2ZB70.71
NCANICOTINAMIDEA,B,C,D,E,F,
G,H		1R150.71
NCANICOTINAMIDEA,B2QQG0.71
NCANICOTINAMIDEA2OTV0.71
NCANICOTINAMIDEA2QHF0.71
NCANICOTINAMIDEA,B,C,D2C8A0.71
NCANICOTINAMIDEA,B2HJH0.71
NCANICOTINAMIDEA2A150.71
NCANICOTINAMIDEA2R6V0.71
NCANICOTINAMIDEA,B1ISI0.71
NCANICOTINAMIDEA,D,E2R9J0.71
NCANICOTINAMIDEA2H4J0.71
NCANICOTINAMIDEA,B2OD90.71
NCANICOTINAMIDEA,B,C,D,E1YC20.71
NCANICOTINAMIDEA,B3DZG0.71
NCANICOTINAMIDEA1OJU0.71
BIN2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-
1-ETHYL-5-ISOPROPOXYCARBONYL-6-
METHYL-PYRIDINIUM		A1C8L0.72
BIN2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-
1-ETHYL-5-ISOPROPOXYCARBONYL-6-
METHYL-PYRIDINIUM		A2AMV0.72
BIN2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-
1-ETHYL-5-ISOPROPOXYCARBONYL-6-
METHYL-PYRIDINIUM		A3AMV0.72
F8A9-[2-(trifluoromethyl)benzyl]-2,3,4,9-
tetrahydro-1H-carbazole-8-carboxylic acid		A3FR40.76
4HGN-[(4-HYDROXY-8-IODOISOQUINOLIN-
3-YL)CARBONYL]GLYCINE		A2G190.71
4HGN-[(4-HYDROXY-8-IODOISOQUINOLIN-
3-YL)CARBONYL]GLYCINE		A2G1M0.71
3HM5-hydroxy-6-methylpyridine-3-carboxylic acidA,B3GMC0.77
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLN0.76
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLO0.76
8592-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN-
4-YL}AMINO)BENZAMIDE		A,B2NO30.7
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.71
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.7
PF3(2R)-3-({[4-[(PYRIDIN-4-YL)PHENYL]-
THIEN-2-YL}CARBOXAMIDO)(PHENYL)PROPANOIC ACID		A,B1UTZ0.7
PMC3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1I430.76
PYU2-(1H-pyrrol-1-ylcarbonyl)benzene-
1,3,5-triol		A,B3EKO0.72
NIONICOTINIC ACIDA1JHQ0.87
NIONICOTINIC ACIDA1L5L0.87
NIONICOTINIC ACIDA2F7F0.87
NIONICOTINIC ACIDA1L5K0.87
NIONICOTINIC ACIDA1JHY0.87
NIONICOTINIC ACIDA,B1FSL0.87
NIONICOTINIC ACIDA1L5M0.87
NIONICOTINIC ACIDA1LH60.87
NIONICOTINIC ACIDA1JHO0.87
NIONICOTINIC ACIDA3CI80.87
NIONICOTINIC ACIDA,B,C,D1ICU0.87
NIONICOTINIC ACIDA,B,C,D,E,F,
G,H		3HRD0.87
NIONICOTINIC ACIDA1JHA0.87
NIONICOTINIC ACIDA1JHV0.87
NIONICOTINIC ACIDA1L4N0.87
NIONICOTINIC ACIDA2LH60.87
NIONICOTINIC ACIDA1D0V0.87
NIONICOTINIC ACIDA,B,C,D1ICV0.87
NIONICOTINIC ACIDA,B1ICR0.87
NIONICOTINIC ACIDA1JHR0.87
S91[4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-
2-YL}AMINO)PHENYL]ACETIC ACID		A2Z8C0.71
S91[4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-
2-YL}AMINO)PHENYL]ACETIC ACID		A2Z7L0.71
225FELODIPINEA2NNJ0.71
INO2-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCL0.74
INO2-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCJ0.74