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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00044176

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
GHP4-HYDROXYPHENYLGLYCINEA1DSR0.73
BEZBENZOIC ACIDA,B2F8D0.73
BEZBENZOIC ACIDA,B1A8U0.73
BEZBENZOIC ACIDA,B1REE0.73
BEZBENZOIC ACIDA1L7Q0.73
BEZBENZOIC ACIDA1I690.73
BEZBENZOIC ACIDH,L1RUL0.73
BEZBENZOIC ACIDA,B3CCF0.73
BEZBENZOIC ACIDA1W9Q0.73
BEZBENZOIC ACIDA,B,G,J2DU80.73
BEZBENZOIC ACIDH,L1RUA0.73
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H		1H4O0.73
BEZBENZOIC ACIDH,L1RU90.73
BEZBENZOIC ACIDA,B,C,D2V320.73
BEZBENZOIC ACIDA2QMQ0.73
BEZBENZOIC ACIDA1UKB0.73
BEZBENZOIC ACIDA,B1RED0.73
BEZBENZOIC ACIDA,B1OC30.73
BEZBENZOIC ACIDA,B1REF0.73
BEZBENZOIC ACIDA,B2O020.73
BEZBENZOIC ACIDA,B2VJ10.73
BEZBENZOIC ACIDA,B,C1WSP0.73
BEZBENZOIC ACIDA1HZ40.73
BEZBENZOIC ACIDA2Q380.73
BEZBENZOIC ACIDA,B,C,D1UUJ0.73
BEZBENZOIC ACIDA,B2QL80.73
BEZBENZOIC ACIDA2Q0I0.73
BEZBENZOIC ACIDA,B1S8F0.73
BEZBENZOIC ACIDD,E,F,G,H1DJR0.73
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H,I		1ONI0.73
BEZBENZOIC ACIDA,B,C,D1I7Q0.73
BEZBENZOIC ACIDA,B,C,D2RHM0.73
BEZBENZOIC ACIDA,B2F780.73
BEZBENZOIC ACIDA,B2VL20.73
BEZBENZOIC ACIDA1HD20.73
BEZBENZOIC ACIDA1JU40.73
BEZBENZOIC ACIDH,L2AJY0.73
BEZBENZOIC ACIDA,B,C3GV10.73
BEZBENZOIC ACIDA2Q6U0.73
BEZBENZOIC ACIDA,B1VE90.73
BEZBENZOIC ACIDA,B1S9A0.73
BEZBENZOIC ACIDH,L,M1OP30.73
BEZBENZOIC ACIDA1W9E0.73
BEZBENZOIC ACIDA,B,C,D2V2G0.73
BEZBENZOIC ACIDH,L2AK10.73
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H		2V410.73
BEZBENZOIC ACIDA,B1GYX0.73
BEZBENZOIC ACIDA1V1T0.73
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1YAJ0.73
BEZBENZOIC ACIDA,B1HKQ0.73
BEZBENZOIC ACIDH,L1RUK0.73
BEZBENZOIC ACIDA2Q1B0.73
BEZBENZOIC ACIDH,L1RUM0.73
BEZBENZOIC ACIDA,B2F7A0.73
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H		1KIF0.73
BEZBENZOIC ACIDA,B2V7B0.73
BEZBENZOIC ACIDH1NCW0.73
BEZBENZOIC ACIDA,B1TMX0.73
BEZBENZOIC ACIDA1URM0.73
BEZBENZOIC ACIDA1W9O0.73
BEZBENZOIC ACIDA,B,C,D1GXS0.73
BEZBENZOIC ACIDH1RUP0.73
BEZBENZOIC ACIDA,B,C,D1KQB0.73
BEZBENZOIC ACIDA2Q9R0.73
BEZBENZOIC ACIDD,H2OK60.73
BEZBENZOIC ACIDA,B2Q0J0.73
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.73
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.7
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.7
864(2S)-2-[3-(AMINOMETHYL)PHENYL]-
3-[(R)-[(1R)-1-{[(BENZYLOXY)CARBONYL]AMINO}-
2-METHYLPROPYL](HYDROXY)PHOSPHORYL]PROPANOIC ACID		A,B,C2PJ20.71
BJP(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERO0.75
4PH4-methyl-L-phenylalanineB,C3BV90.72
DPND-PHENYLALANINEP1MCS0.7
DPND-PHENYLALANINEA1GOE0.7
DPND-PHENYLALANINEA2RM90.7
DPND-PHENYLALANINEA1SOC0.7
DPND-PHENYLALANINEB,C,E,F1SFQ0.7
DPND-PHENYLALANINEI1ABJ0.7
DPND-PHENYLALANINEP1DWE0.7
DPND-PHENYLALANINEI,M1HLT0.7
DPND-PHENYLALANINEA,H,L1J9C0.7
DPND-PHENYLALANINEI,T1TMB0.7
DPND-PHENYLALANINEA2JRY0.7
DPND-PHENYLALANINEA2SOC0.7
DPND-PHENYLALANINEA2YYF0.7
DPND-PHENYLALANINEI2HGT0.7
DPND-PHENYLALANINEA,D2Q3I0.7
DPND-PHENYLALANINEA,P1MCD0.7
DPND-PHENYLALANINEP1HAO0.7
DPND-PHENYLALANINEA,B,I1Z8J0.7
DPND-PHENYLALANINEA,B,C2PGQ0.7
DPND-PHENYLALANINEC,D,H,I,L,M,
X,Y		1DVA0.7
DPND-PHENYLALANINEP1NRR0.7
DPND-PHENYLALANINEI1PPB0.7
DPND-PHENYLALANINEC,D,G,H1NU70.7
DPND-PHENYLALANINEI2HPP0.7
DPND-PHENYLALANINEB,C2OD30.7
DPND-PHENYLALANINEA1B0Q0.7
DPND-PHENYLALANINEB,C,E,F1NU90.7
DPND-PHENYLALANINEA,B,I1Z8I0.7
DPND-PHENYLALANINEH,I,J1TMU0.7
DPND-PHENYLALANINEA,B,C,D,E,F2DNS0.7
DPND-PHENYLALANINEA1GO90.7
DPND-PHENYLALANINEB,C,E,F1A0H0.7
DPND-PHENYLALANINEP1MCF0.7
DPND-PHENYLALANINEA2RME0.7
DPND-PHENYLALANINEH,I1TMT0.7
DPND-PHENYLALANINEI1ABI0.7
DPND-PHENYLALANINER1NRQ0.7
DPND-PHENYLALANINEB,C,F,G2A1D0.7
DPND-PHENYLALANINEA,B2Q330.7
DPND-PHENYLALANINEC,H,L1DAN0.7
DPND-PHENYLALANINEP1MCE0.7
DPND-PHENYLALANINEB,C,E,F2A450.7
DPND-PHENYLALANINEA2RMI0.7
DPND-PHENYLALANINEA,B,I1TQ70.7
DPND-PHENYLALANINEA1W7M0.7
DPND-PHENYLALANINEP1HAP0.7
DPND-PHENYLALANINEA,B1ORF0.7
DPND-PHENYLALANINEI1IHS0.7
DPND-PHENYLALANINEP1MCC0.7
DPND-PHENYLALANINEA2RMD0.7
DPND-PHENYLALANINEA2JQB0.7
DPND-PHENYLALANINEI2HPQ0.7
DPND-PHENYLALANINEC,E,F1SHH0.7
DPND-PHENYLALANINEA,I1CVR0.7
DPND-PHENYLALANINEL,P1AUT0.7
DPND-PHENYLALANINEP1MCI0.7
DPND-PHENYLALANINEH,I3F6U0.7
DPND-PHENYLALANINEA1BFW0.7
DPND-PHENYLALANINEH,I1HAI0.7
DPND-PHENYLALANINEB,C2THF0.7
DPND-PHENYLALANINEI1IHT0.7
DPND-PHENYLALANINEA,P1MCJ0.7
DPND-PHENYLALANINEA1TKH0.7
DPND-PHENYLALANINEC,H,L,T2FIR0.7
DPND-PHENYLALANINEA2FMZ0.7
DPND-PHENYLALANINEA1YL90.7
DPND-PHENYLALANINEI1HUT0.7
DPND-PHENYLALANINEI1FXY0.7
DPND-PHENYLALANINEA1YL80.7
DPND-PHENYLALANINEC,H,L1QFK0.7
DPND-PHENYLALANINEP1MCB0.7
0A9methyl L-phenylalaninateA1AY20.74
0A9methyl L-phenylalaninateI5ER10.74
0A9methyl L-phenylalaninateI,P1HDT0.74
COCCOCAINEA,C1I7Z0.71
COCCOCAINEH1Q720.71
COCCOCAINEL2AJV0.71
COCCOCAINEA,B,C,D,E2PGZ0.71
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1F2W0.73
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA2F140.73
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1BV30.73
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA2AW10.73
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1ZE80.73
2013-AMIDO-5-BIPHENYL-BENZOIC ACIDA2B0M0.78
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B1KDG0.71
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B,C,D1O9L0.71
MPQN-METHYL-ALPHA-PHENYL-GLYCINED1D6E0.73
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.71
HBD4-HYDROXYBENZAMIDEB,C,D1BEN0.71
DIC3,4-DICHLOROISOCOUMARINA1DIC0.7
4AF4-ACETYL-L-PHENYLALANINEA1ZH60.75
TMM1,3,5-BENZENETRICARBOXYLIC ACIDA,B,C,D1SDL0.72
TMM1,3,5-BENZENETRICARBOXYLIC ACIDA,B,C,D1SDK0.72
BJH1(R)-1-ACETAMIDO-2-(3-CARBOXY-2-
HYDROXYPHENYL)ETHYL BORONIC ACID		A1ERQ0.7
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1W7Q0.73
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H		1W7R0.73
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFK0.72
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFQ0.72
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1Z9Y0.72
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZH90.72
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGE0.72
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGF0.72
BJI1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERM0.79
186[1-(1-METHYL-4,5-DIOXO-PENT-2-ENYLCARBAMOYL)-
2-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER		X1U9Q0.7
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.78
BE22-AMINOBENZOIC ACIDA,B,C,D,E,F,
G,H		1F8S0.72
BE22-AMINOBENZOIC ACIDE,I1ZFP0.72
BE22-AMINOBENZOIC ACIDA,B2HU80.72
BE22-AMINOBENZOIC ACIDA,B1AN90.72
BE22-AMINOBENZOIC ACIDA,B,C,D2GVQ0.72
BE22-AMINOBENZOIC ACIDA,B2YR60.72
BE22-AMINOBENZOIC ACIDA,I1E8N0.72
BE22-AMINOBENZOIC ACIDA,B,C,D1ZYK0.72
BE22-AMINOBENZOIC ACIDA1C0I0.72
BE22-AMINOBENZOIC ACIDA,B2JB30.72
BE22-AMINOBENZOIC ACIDA,B,C,D2E4A0.72
PG9D-PHENYLGLYCINEA,B,G,H10GS0.76
PG9D-PHENYLGLYCINEA,B,C,D2B4K0.76
PAB4-AMINOBENZOIC ACIDA1PBD0.75
PAB4-AMINOBENZOIC ACIDB2DZA0.75
PAB4-AMINOBENZOIC ACIDA1IUS0.75
PAB4-AMINOBENZOIC ACIDA1IUU0.75
PAB4-AMINOBENZOIC ACIDA1IUT0.75
3MB3-METHOXYBENZAMIDEA3PAX0.77
959benzyl (2-oxopropyl)carbamateA3D620.7
ZHZ2-(4-METHOXYPHENYL)ACETAMIDED,H2HKR0.71
247(3R)-3-amino-2,2-difluoro-3-(4-
hydroxyphenyl)propanoic acid		A,B2QVE0.7
296(3R)-3-amino-2,2-difluoro-3-(4-
methoxyphenyl)propanoic acid		A,B2RJS0.73
3FL3-{[(4-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-
4-yl)methyl]amino}butyl)amino]methyl}benzoic acid		A,B3FCL0.7
CIN4-CARBOXYCINNAMIC ACIDA,B,C,D1HAB0.73
CIN4-CARBOXYCINNAMIC ACIDA,B1T6J0.73
SEM3-AMINO-4-OXYBENZYL-2-BUTANONEA,B1THE0.7
MN71-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENEN1NLO0.8
4MA4-METHYLBENZOIC ACIDA,H2HRG0.74
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.79
RBE3-(BENZOYLOXY)-8-AZA-BICYCLO[3.2.1]OCTANE-
2-CARBOXYLIC ACID		H1RIU0.72
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A,B,M,N1FJM0.7
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1EVA0.7
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1LCM0.7
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A,B,C,D,E,F,
G,H		2NYM0.7
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		C,I2IE30.7
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		C,F,X,Y2NPP0.7
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1EVC0.7
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		C,F,G,H3DW80.7
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A,B,C,D,E,F,
G,H		2NYL0.7
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1EVD0.7
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1EVB0.7
APD3-METHYLPHENYLALANINEA,B,C1GMY0.73
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.72
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.72
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.72
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.71
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.71
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.71
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID		C1FAV0.79
MBOMERCURIBENZOIC ACIDA2QO80.73
MBOMERCURIBENZOIC ACIDA1LUG0.73
MBOMERCURIBENZOIC ACIDA2HOC0.73
MBOMERCURIBENZOIC ACIDA3EFI0.73
MBOMERCURIBENZOIC ACIDA3BL00.73
MBOMERCURIBENZOIC ACIDA,B,C,D,E,F1NAQ0.73
MBOMERCURIBENZOIC ACIDA3CAJ0.73
MBOMERCURIBENZOIC ACIDA1DR70.73
MBOMERCURIBENZOIC ACIDA2HL40.73
MBOMERCURIBENZOIC ACIDA2GD80.73
MBOMERCURIBENZOIC ACIDA2QP60.73
MBOMERCURIBENZOIC ACIDA2HD60.73
MBOMERCURIBENZOIC ACIDA3C7P0.73
MBOMERCURIBENZOIC ACIDA,B2JHN0.73
MBOMERCURIBENZOIC ACIDA1DR60.73
MBOMERCURIBENZOIC ACIDA2HNC0.73
MBOMERCURIBENZOIC ACIDA2QOA0.73
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA1DSR0.73
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H		1W7R0.73
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1W7Q0.73
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.73
4MP1-(4-METHOXYBENZOYL)-2-PYRROLIDINONEA,B2AL50.7
SCLACETIC ACID SALICYLOYL-AMINO-ESTERA1EBV0.72
PBFPARA-(BENZOYL)-PHENYLALANINEA2FR90.72
PBFPARA-(BENZOYL)-PHENYLALANINEA,B1EEN0.72
PBFPARA-(BENZOYL)-PHENYLALANINEA2HGZ0.72
PBFPARA-(BENZOYL)-PHENYLALANINEA2FRB0.72
FE34-(2-aminoethyl)-3-chlorobenzoic acidA,B2K1Q0.75
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.73
GAB3-AMINOBENZOIC ACIDA,B3GSB0.73
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.73
GAB3-AMINOBENZOIC ACIDA3FHB0.73