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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02827586

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2013-AMIDO-5-BIPHENYL-BENZOIC ACIDA2B0M0.75
DMBA,B1SRI0.72
MAZFORMIC ACID 3-AMINO-BENZYL ESTERH,L1JYQ0.71
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.79
GAB3-AMINOBENZOIC ACIDA,B3GSB0.79
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.79
GAB3-AMINOBENZOIC ACIDA3FHB0.79
DPND-PHENYLALANINEP1MCS0.72
DPND-PHENYLALANINEA1GOE0.72
DPND-PHENYLALANINEA2RM90.72
DPND-PHENYLALANINEA1SOC0.72
DPND-PHENYLALANINEB,C,E,F1SFQ0.72
DPND-PHENYLALANINEI1ABJ0.72
DPND-PHENYLALANINEP1DWE0.72
DPND-PHENYLALANINEI,M1HLT0.72
DPND-PHENYLALANINEA,H,L1J9C0.72
DPND-PHENYLALANINEI,T1TMB0.72
DPND-PHENYLALANINEA2JRY0.72
DPND-PHENYLALANINEA2SOC0.72
DPND-PHENYLALANINEA2YYF0.72
DPND-PHENYLALANINEI2HGT0.72
DPND-PHENYLALANINEA,D2Q3I0.72
DPND-PHENYLALANINEA,P1MCD0.72
DPND-PHENYLALANINEP1HAO0.72
DPND-PHENYLALANINEA,B,I1Z8J0.72
DPND-PHENYLALANINEA,B,C2PGQ0.72
DPND-PHENYLALANINEC,D,H,I,L,M,
X,Y
1DVA0.72
DPND-PHENYLALANINEP1NRR0.72
DPND-PHENYLALANINEI1PPB0.72
DPND-PHENYLALANINEC,D,G,H1NU70.72
DPND-PHENYLALANINEI2HPP0.72
DPND-PHENYLALANINEB,C2OD30.72
DPND-PHENYLALANINEA1B0Q0.72
DPND-PHENYLALANINEB,C,E,F1NU90.72
DPND-PHENYLALANINEA,B,I1Z8I0.72
DPND-PHENYLALANINEH,I,J1TMU0.72
DPND-PHENYLALANINEA,B,C,D,E,F2DNS0.72
DPND-PHENYLALANINEA1GO90.72
DPND-PHENYLALANINEB,C,E,F1A0H0.72
DPND-PHENYLALANINEP1MCF0.72
DPND-PHENYLALANINEA2RME0.72
DPND-PHENYLALANINEH,I1TMT0.72
DPND-PHENYLALANINEI1ABI0.72
DPND-PHENYLALANINER1NRQ0.72
DPND-PHENYLALANINEB,C,F,G2A1D0.72
DPND-PHENYLALANINEA,B2Q330.72
DPND-PHENYLALANINEC,H,L1DAN0.72
DPND-PHENYLALANINEP1MCE0.72
DPND-PHENYLALANINEB,C,E,F2A450.72
DPND-PHENYLALANINEA2RMI0.72
DPND-PHENYLALANINEA,B,I1TQ70.72
DPND-PHENYLALANINEA1W7M0.72
DPND-PHENYLALANINEP1HAP0.72
DPND-PHENYLALANINEA,B1ORF0.72
DPND-PHENYLALANINEI1IHS0.72
DPND-PHENYLALANINEP1MCC0.72
DPND-PHENYLALANINEA2RMD0.72
DPND-PHENYLALANINEA2JQB0.72
DPND-PHENYLALANINEI2HPQ0.72
DPND-PHENYLALANINEC,E,F1SHH0.72
DPND-PHENYLALANINEA,I1CVR0.72
DPND-PHENYLALANINEL,P1AUT0.72
DPND-PHENYLALANINEP1MCI0.72
DPND-PHENYLALANINEH,I3F6U0.72
DPND-PHENYLALANINEA1BFW0.72
DPND-PHENYLALANINEH,I1HAI0.72
DPND-PHENYLALANINEB,C2THF0.72
DPND-PHENYLALANINEI1IHT0.72
DPND-PHENYLALANINEA,P1MCJ0.72
DPND-PHENYLALANINEA1TKH0.72
DPND-PHENYLALANINEC,H,L,T2FIR0.72
DPND-PHENYLALANINEA2FMZ0.72
DPND-PHENYLALANINEA1YL90.72
DPND-PHENYLALANINEI1HUT0.72
DPND-PHENYLALANINEI1FXY0.72
DPND-PHENYLALANINEA1YL80.72
DPND-PHENYLALANINEC,H,L1QFK0.72
DPND-PHENYLALANINEP1MCB0.72
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.74
CBLCHLORAMBUCILA,B3CSJ0.72
MTBA,B1SRF0.7
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.7
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J2FIV0.75
ALNNAPHTHALEN-2-YL-3-ALANINEA,B1B0H0.75
ALNNAPHTHALEN-2-YL-3-ALANINEB1FIV0.75
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J3FIV0.75
FLPFLURBIPROFENA,B,C,D3PGH0.7
FLPFLURBIPROFENA,B1CQE0.7
FLPFLURBIPROFENA,B1EQH0.7
FLPFLURBIPROFENA,B2AYL0.7
FLPFLURBIPROFENA1DVT0.7
FLPFLURBIPROFENA1R9O0.7
4A34-AMINO-3-HYDROXYBENZOIC ACIDA,B2HDR0.73
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.79
APMM-AMIDINOPHENYL-3-ALANINEE1PPH0.7
3AB3-aminobenzamideA,B,C,D3GOY0.7
INUN-(3-CYCLOPROPYL(5,6,7,8,9,10-HEXAHYDRO-
2-OXO-2H-CYCLOOCTA[B]PYRAN-3-YL)METHYL)PHENYLBENZENSULFONAMIDE
A7UPJ0.7
A752-[(PHENYLSULFONYL)AMINO]-5,6,7,8-
TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID
A1YW80.73
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.86
PAB4-AMINOBENZOIC ACIDA1PBD0.82
PAB4-AMINOBENZOIC ACIDB2DZA0.82
PAB4-AMINOBENZOIC ACIDA1IUS0.82
PAB4-AMINOBENZOIC ACIDA1IUU0.82
PAB4-AMINOBENZOIC ACIDA1IUT0.82
F773-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}-
2-METHYLBENZOIC ACID
A2EA20.73
IOYP-IODO-D-PHENYLALANINEA1XBU0.7
BE22-AMINOBENZOIC ACIDA,B,C,D,E,F,
G,H
1F8S0.76
BE22-AMINOBENZOIC ACIDE,I1ZFP0.76
BE22-AMINOBENZOIC ACIDA,B2HU80.76
BE22-AMINOBENZOIC ACIDA,B1AN90.76
BE22-AMINOBENZOIC ACIDA,B,C,D2GVQ0.76
BE22-AMINOBENZOIC ACIDA,B2YR60.76
BE22-AMINOBENZOIC ACIDA,I1E8N0.76
BE22-AMINOBENZOIC ACIDA,B,C,D1ZYK0.76
BE22-AMINOBENZOIC ACIDA1C0I0.76
BE22-AMINOBENZOIC ACIDA,B2JB30.76
BE22-AMINOBENZOIC ACIDA,B,C,D2E4A0.76
HPEHOMOPHENYLALANINEA,B1B1H0.72
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.73
HMF2-AMINO-4-PHENYL-BUTYRIC ACIDI,J1AY60.72
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.71
EAB(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3T0.91
PBFPARA-(BENZOYL)-PHENYLALANINEA2FR90.71
PBFPARA-(BENZOYL)-PHENYLALANINEA,B1EEN0.71
PBFPARA-(BENZOYL)-PHENYLALANINEA2HGZ0.71
PBFPARA-(BENZOYL)-PHENYLALANINEA2FRB0.71
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.83
TY23-AMINO-L-TYROSINEA,B2VH30.73
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.71
FOG(4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acidI1EED0.72
ICUMETHYL(2-ACETOXY-2-(2-CARBOXY-4-
AMINO-PHENYL))ACETATE
A1JIM0.7
L98(2R)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-
3-SULFANYLPROPANOIC ACID
A,B,C1ZG80.78
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3S0.91
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B,C,D2H4B0.91
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.73
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDB,H1UB50.75
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDA,B,H,L3CFB0.75
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDB,H3CFD0.75
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDA,L1FL30.75
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S1YYL0.75
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S2I5Y0.75
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.79
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.78
PG9D-PHENYLGLYCINEA,B,G,H10GS0.76
PG9D-PHENYLGLYCINEA,B,C,D2B4K0.76
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.74
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.74
4PH4-methyl-L-phenylalanineB,C3BV90.71
PFF4-FLUORO-L-PHENYLALANINEA3F3C0.7
PFF4-FLUORO-L-PHENYLALANINEA,C,E,F2UUE0.7
PFF4-FLUORO-L-PHENYLALANINEA1ZNT0.7
PFF4-FLUORO-L-PHENYLALANINEF,H1OL10.7
PFF4-FLUORO-L-PHENYLALANINEA,C,F,H2C5V0.7
PFF4-FLUORO-L-PHENYLALANINEE,F1OL20.7
2UN{4-[2-BENZYL-3-METHOXY-2-(METHOXYCARBONYL)-
3-OXOPROPYL]PHENYL}SULFAMIC ACID
A,B2H020.76
MPQN-METHYL-ALPHA-PHENYL-GLYCINED1D6E0.71
P202-(5-{[AMINO(IMINO)METHYL]AMINO}-
2-CHLOROPHENYL)-3-SULFANYLPROPANOIC ACID
A,B,C1ZG70.72
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.71
NALBETA-(2-NAPHTHYL)-ALANINEA,B2ITK0.73
NALBETA-(2-NAPHTHYL)-ALANINEH,I4THN0.73
NALBETA-(2-NAPHTHYL)-ALANINEA,B2Q5A0.73
NALBETA-(2-NAPHTHYL)-ALANINEA1ZWU0.73
NALBETA-(2-NAPHTHYL)-ALANINEA1SKL0.73
NALBETA-(2-NAPHTHYL)-ALANINEH,I5GDS0.73
NALBETA-(2-NAPHTHYL)-ALANINEA1ZH00.73
NALBETA-(2-NAPHTHYL)-ALANINEA,B2JT90.73
DFADIPHENYLACETIC ACIDA,B,C1GMY0.73
U143-(5-AMINO-3-IMINO-3H-PYRAZOL-4-
YLAZO)-BENZOIC ACID
A2GG70.72
LZQ4-[3-(dibenzylamino)phenyl]-2,4-
dioxobutanoic acid
A3EB10.7
4NB4-NITROBENZOIC ACIDA,B3CHT0.74
BFLA,B1Q4G0.72
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA,B1BM70.73
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA1S2C0.73
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA2PIX0.73
A80N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO-
NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID
A2CBR0.74
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.78
606(2S)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-
3-[(S)-HYDROXY(3-PHENYLPROPYL)PHOSPHORYL]PROPANOIC ACID
A,B,C2PIZ0.77
KYNKYNURENINEA,B,C,D2R2N0.75
KYNKYNURENINEA,B3E2Z0.75
KYNKYNURENINEA1XT70.75
KYNKYNURENINEA1T5M0.75
KYNKYNURENINEA1T5N0.75
KYNKYNURENINEA2VOV0.75
KYNKYNURENINEA2VOX0.75
APD3-METHYLPHENYLALANINEA,B,C1GMY0.73
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBC0.71
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBF0.71
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1SXK0.71
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.76
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.76
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.76
PHIIODO-PHENYLALANINEA1TF90.7
PHIIODO-PHENYLALANINEA,B,C,D1ORW0.7
PHIIODO-PHENYLALANINEA1T6H0.7
PHIIODO-PHENYLALANINEA,B,C1NLU0.7
PHIIODO-PHENYLALANINEA,I1GA10.7
PHIIODO-PHENYLALANINEA,I1GA40.7
PHIIODO-PHENYLALANINEP1CZI0.7
PPNPARA-NITROPHENYLALANINEI1YTJ0.75
SX12-amino-5-bromobenzoic acidA,B3CIZ0.7
AZY3-AZIDO-L-TYROSINEA2YXN0.72
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA,B3CFQ0.75
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA1SV90.75
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA1NR60.75
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA3HWV0.75
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDB1DVX0.75
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA2B6D0.75
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA,B,C,D1PXX0.75
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA2B170.75
7613-(OXALYL-AMINO)-NAPHTHALENE-2-
CARBOXYLIC ACID
A1C840.71
IBRA9EST0.75
GBS4-GUANIDINOBENZOIC ACIDX2AH40.73
GBS4-GUANIDINOBENZOIC ACIDA1GBT0.73
GBS4-GUANIDINOBENZOIC ACIDA1RTK0.73
GBS4-GUANIDINOBENZOIC ACIDA3DFL0.73
HABA,B1SRE0.71
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.71
MHBA,B1SRG0.7
A415-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACIDA1YW70.73
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.72
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.72
SOAISATOIC ANHYDRIDEA1BIO0.7
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.73