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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00021257

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.73
341(3,5-difluorophenyl)methanolC3EON0.74
BGGCARBONIC ACID MONOBENZYL ESTERB,D1DLK0.93
MAZFORMIC ACID 3-AMINO-BENZYL ESTERH,L1JYQ0.76
MBOMERCURIBENZOIC ACIDA2QO80.71
MBOMERCURIBENZOIC ACIDA1LUG0.71
MBOMERCURIBENZOIC ACIDA2HOC0.71
MBOMERCURIBENZOIC ACIDA3EFI0.71
MBOMERCURIBENZOIC ACIDA3BL00.71
MBOMERCURIBENZOIC ACIDA,B,C,D,E,F1NAQ0.71
MBOMERCURIBENZOIC ACIDA3CAJ0.71
MBOMERCURIBENZOIC ACIDA1DR70.71
MBOMERCURIBENZOIC ACIDA2HL40.71
MBOMERCURIBENZOIC ACIDA2GD80.71
MBOMERCURIBENZOIC ACIDA2QP60.71
MBOMERCURIBENZOIC ACIDA2HD60.71
MBOMERCURIBENZOIC ACIDA3C7P0.71
MBOMERCURIBENZOIC ACIDA,B2JHN0.71
MBOMERCURIBENZOIC ACIDA1DR60.71
MBOMERCURIBENZOIC ACIDA2HNC0.71
MBOMERCURIBENZOIC ACIDA2QOA0.71
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.7
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE
C,D,E1SQQ0.72
PHQFORMIC ACID BENZYL ESTERA,I2F4O1
PHQFORMIC ACID BENZYL ESTERA1KJO1
PHQFORMIC ACID BENZYL ESTERI2CDR1
PHQFORMIC ACID BENZYL ESTERI2C1E1
PHQFORMIC ACID BENZYL ESTERI5PAD1
PHQFORMIC ACID BENZYL ESTERE,F1JXQ1
PHQFORMIC ACID BENZYL ESTERA2CNO1
PHQFORMIC ACID BENZYL ESTERA,B1CGL1
PHQFORMIC ACID BENZYL ESTERI2AZ91
PHQFORMIC ACID BENZYL ESTERI2C2K1
PHQFORMIC ACID BENZYL ESTERA,I2CNL1
PHQFORMIC ACID BENZYL ESTERA1KJP1
PHQFORMIC ACID BENZYL ESTERI2C2M1
PHQFORMIC ACID BENZYL ESTERI2AZB1
PHQFORMIC ACID BENZYL ESTERA9HVP1
PHQFORMIC ACID BENZYL ESTERA1ESB1
PHQFORMIC ACID BENZYL ESTERE,F1DY81
PHQFORMIC ACID BENZYL ESTERE,I1PPM1
PHQFORMIC ACID BENZYL ESTERI1GEC1
PHQFORMIC ACID BENZYL ESTERA1KS71
PHQFORMIC ACID BENZYL ESTERC1A8G1
PHQFORMIC ACID BENZYL ESTERA1KKK1
PHQFORMIC ACID BENZYL ESTERT,U,V,W,X,Y1QDU1
PHQFORMIC ACID BENZYL ESTERE,I4TMN1
PHQFORMIC ACID BENZYL ESTERE,I5TMN1
PHQFORMIC ACID BENZYL ESTERA1KTO1
PHQFORMIC ACID BENZYL ESTERA,C1TG11
PHQFORMIC ACID BENZYL ESTERI2AZ81
PHQFORMIC ACID BENZYL ESTERA,B2G581
PHQFORMIC ACID BENZYL ESTERQ,R,S,T,U,V1F9E1
PHQFORMIC ACID BENZYL ESTERI2CJY1
PHQFORMIC ACID BENZYL ESTERA,I1E8M1
PHQFORMIC ACID BENZYL ESTERA1KR61
PHQFORMIC ACID BENZYL ESTERE,I6TMN1
PHQFORMIC ACID BENZYL ESTERA1KRO1
PHQFORMIC ACID BENZYL ESTERI2CNN1
PHQFORMIC ACID BENZYL ESTERI2C2O1
PHQFORMIC ACID BENZYL ESTERA,B1SQZ1
PHQFORMIC ACID BENZYL ESTERA,B1THE1
PHQFORMIC ACID BENZYL ESTERI,J2AZC1
PHQFORMIC ACID BENZYL ESTERE,I5EST1
PHQFORMIC ACID BENZYL ESTERI2CNK1
PHQFORMIC ACID BENZYL ESTERA1KL61
PHQFORMIC ACID BENZYL ESTERI6PAD1
PHQFORMIC ACID BENZYL ESTERB,I2C2Z1
SS11-PHENYLETHANOLH1UM50.78
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.76
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.71
FOS[[N-(BENZYLOXYCARBONYL)AMINO]METHYL]PHOSPHATEA1BLH0.77
FOS[[N-(BENZYLOXYCARBONYL)AMINO]METHYL]PHOSPHATEA1AXB0.77
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.76
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.76
2LP2-ALLYLPHENOLA1OV50.71
4MA4-METHYLBENZOIC ACIDA,H2HRG0.71
SMN(S)-MANDELIC ACIDA1MDL0.73
BRBPARA-BROMOBENZYL ALCOHOLA,B1HLD0.71
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.74
2PMN-[2-(BENZHYDRYLOXY)ETHYL]-N,N-
DIMETHYLAMINE
A,B2AOT0.72
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.71
OBZO-benzylhydroxylamineA,B3DTH0.83
OBZO-benzylhydroxylamineA,B3DTG0.83
HCIHYDROCINNAMIC ACIDA,B1BXG0.72
HCIHYDROCINNAMIC ACIDA,B1TOG0.72
HCIHYDROCINNAMIC ACIDA,B1V2F0.72
HCIHYDROCINNAMIC ACIDA,B1AHX0.72
HCIHYDROCINNAMIC ACIDA1TOI0.72
HCIHYDROCINNAMIC ACIDA,B1AY80.72
HCIHYDROCINNAMIC ACIDA1TOJ0.72
CIN4-CARBOXYCINNAMIC ACIDA,B,C,D1HAB0.71
CIN4-CARBOXYCINNAMIC ACIDA,B1T6J0.71
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.71
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.73
PAC2-PHENYLACETIC ACIDB1PNL0.73
PAC2-PHENYLACETIC ACIDB1K5Q0.73
PAC2-PHENYLACETIC ACIDB1FXH0.73
PAC2-PHENYLACETIC ACIDA2ISF0.73
PAC2-PHENYLACETIC ACIDA2INE0.73
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPM0.7
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPL0.7
5PV5-PHENYLVALERIC ACIDA,B2AY90.71
SS2(1R)-1-PHENYLETHANOLA1ZK00.78
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.78
SS2(1R)-1-PHENYLETHANOLA1ZJY0.78
HC4A1TS60.71
HC4A3PHY0.71
HC4A3PYP0.71
HC4A1T1C0.71
HC4A1OT60.71
HC4A1TS00.71
HC4A1T1A0.71
HC4A2PYP0.71
HC4A2ZOI0.71
HC4A1OTI0.71
HC4A1XFQ0.71
HC4A2D010.71
HC4A,B,C,D,E,F,
G,H
2O7B0.71
HC4A2ZOH0.71
HC4A1GSW0.71
HC4A2QJ70.71
HC4A1F9I0.71
HC4X1UWP0.71
HC4A2PHY0.71
HC4A1T1B0.71
HC4A1F980.71
HC4A1T190.71
HC4X1UWN0.71
HC4A,B,C,D,E,F,
G,H
2O7F0.71
HC4A1UGU0.71
HC4A1TS80.71
HC4A,B1OTD0.71
HC4A1OTE0.71
HC4A1GSX0.71
HC4A1TS70.71
HC4A2PYR0.71
HC4A1S4S0.71
HC4A1GSV0.71
HC4A2I9V0.71
HC4A2QWS0.71
HC4A1XFN0.71
HC4A1S4R0.71
HC4A1T180.71
HC4A1OTA0.71
HC4A1D7E0.71
HC4A1S1Z0.71
HC4A,B,C1MZU0.71
HC4A,B1ODV0.71
HC4A,B2J3J0.71
HC4A2QJ50.71
HC4A1OTB0.71
HC4A2D020.71
HC4A1OT90.71
HC4A1NWZ0.71
HC4A1S1Y0.71
CVB4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACIDA,B1KE00.71
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.73
RMN(R)-MANDELIC ACIDA1MDL0.73
RMN(R)-MANDELIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1MCZ0.73
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.8
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.7
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.72
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID0,1,3,4,5,9,
A,B,C,H,J,K,
L,M,N,O,Q,R,
S,T,U,Y,Z
1VQ60.71
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA,B1C1X0.71
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID0,1,3,4,9,A,
B,C,D,F,H,J,
K,L,M,N,O,Q,
R,S,T,U,Y,Z
1VQP0.71
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID0,1,2,3,4,5,
9,A,B,C,D,F,
H,J,K,L,M,N,
O,Q,R,S,T,U,
Y,Z
1VQN0.71
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1QRP0.71
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA2CTC0.71
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E820.71
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E810.71
BEZBENZOIC ACIDA,B2F8D0.71
BEZBENZOIC ACIDA,B1A8U0.71
BEZBENZOIC ACIDA,B1REE0.71
BEZBENZOIC ACIDA1L7Q0.71
BEZBENZOIC ACIDA1I690.71
BEZBENZOIC ACIDH,L1RUL0.71
BEZBENZOIC ACIDA,B3CCF0.71
BEZBENZOIC ACIDA1W9Q0.71
BEZBENZOIC ACIDA,B,G,J2DU80.71
BEZBENZOIC ACIDH,L1RUA0.71
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H
1H4O0.71
BEZBENZOIC ACIDH,L1RU90.71
BEZBENZOIC ACIDA,B,C,D2V320.71
BEZBENZOIC ACIDA2QMQ0.71
BEZBENZOIC ACIDA1UKB0.71
BEZBENZOIC ACIDA,B1RED0.71
BEZBENZOIC ACIDA,B1OC30.71
BEZBENZOIC ACIDA,B1REF0.71
BEZBENZOIC ACIDA,B2O020.71
BEZBENZOIC ACIDA,B2VJ10.71
BEZBENZOIC ACIDA,B,C1WSP0.71
BEZBENZOIC ACIDA1HZ40.71
BEZBENZOIC ACIDA2Q380.71
BEZBENZOIC ACIDA,B,C,D1UUJ0.71
BEZBENZOIC ACIDA,B2QL80.71
BEZBENZOIC ACIDA2Q0I0.71
BEZBENZOIC ACIDA,B1S8F0.71
BEZBENZOIC ACIDD,E,F,G,H1DJR0.71
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H,I
1ONI0.71
BEZBENZOIC ACIDA,B,C,D1I7Q0.71
BEZBENZOIC ACIDA,B,C,D2RHM0.71
BEZBENZOIC ACIDA,B2F780.71
BEZBENZOIC ACIDA,B2VL20.71
BEZBENZOIC ACIDA1HD20.71
BEZBENZOIC ACIDA1JU40.71
BEZBENZOIC ACIDH,L2AJY0.71
BEZBENZOIC ACIDA,B,C3GV10.71
BEZBENZOIC ACIDA2Q6U0.71
BEZBENZOIC ACIDA,B1VE90.71
BEZBENZOIC ACIDA,B1S9A0.71
BEZBENZOIC ACIDH,L,M1OP30.71
BEZBENZOIC ACIDA1W9E0.71
BEZBENZOIC ACIDA,B,C,D2V2G0.71
BEZBENZOIC ACIDH,L2AK10.71
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H
2V410.71
BEZBENZOIC ACIDA,B1GYX0.71
BEZBENZOIC ACIDA1V1T0.71
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1YAJ0.71
BEZBENZOIC ACIDA,B1HKQ0.71
BEZBENZOIC ACIDH,L1RUK0.71
BEZBENZOIC ACIDA2Q1B0.71
BEZBENZOIC ACIDH,L1RUM0.71
BEZBENZOIC ACIDA,B2F7A0.71
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H
1KIF0.71
BEZBENZOIC ACIDA,B2V7B0.71
BEZBENZOIC ACIDH1NCW0.71
BEZBENZOIC ACIDA,B1TMX0.71
BEZBENZOIC ACIDA1URM0.71
BEZBENZOIC ACIDA1W9O0.71
BEZBENZOIC ACIDA,B,C,D1GXS0.71
BEZBENZOIC ACIDH1RUP0.71
BEZBENZOIC ACIDA,B,C,D1KQB0.71
BEZBENZOIC ACIDA2Q9R0.71
BEZBENZOIC ACIDD,H2OK60.71
BEZBENZOIC ACIDA,B2Q0J0.71
PEL2-PHENYL-ETHANOLA,B1I0D0.77
PEL2-PHENYL-ETHANOLD,H2I0T0.77
PEL2-PHENYL-ETHANOLA,B1HZY0.77
PEL2-PHENYL-ETHANOLA,B1I0B0.77
PEL2-PHENYL-ETHANOLA1EYW0.77
PEL2-PHENYL-ETHANOLA,B1JGM0.77
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.76
SEM3-AMINO-4-OXYBENZYL-2-BUTANONEA,B1THE0.74
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFK0.71
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFQ0.71
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1Z9Y0.71
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZH90.71
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGE0.71
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGF0.71
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE60.72
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE80.72
TCAPHENYLETHYLENECARBOXYLIC ACIDA,B,C,D,E,F,
G,H
2O780.72
959benzyl (2-oxopropyl)carbamateA3D620.75
12M(2-ETHYLPHENYL)METHANOLA,B2F620.78
CLT4-PHENYL-BUTANOIC ACIDA1THL0.71
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.71
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.71
RSOR-STYRENE OXIDEA,B1PWZ0.87
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1F2W0.71
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA2F140.71
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1BV30.71
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA2AW10.71
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1ZE80.71
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.74
MNN(S)-MANDELIC ACID NITRILEA1YB60.73