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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02823958

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.73
5NS5-aminonaphthalene-1-sulfonic acidA,B3CFT0.81
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.78
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.72
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.8
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.74
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.74
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.76
34A3,4-DIMETHYLANILINEA1L4K0.86
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.77
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.77
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.77
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.77
PBZP-AMINO BENZAMIDINEA,B2BDG0.73
PBZP-AMINO BENZAMIDINEA1RFN0.73
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.73
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.73
PBZP-AMINO BENZAMIDINEA1FIZ0.73
PBZP-AMINO BENZAMIDINEA1FIW0.73
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.73
ANS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)H,J1CVW0.71
ANS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)H,I1A4W0.71
ANS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)H,I1FPC0.71
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA,B3CFN0.71
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA,B2ANS0.71
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA,B1OW40.71
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA1EYN0.71
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA,B1TXC0.71
TNL2,4,6-TRINITROTOLUENEA1GVR0.7
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.8
XYD2,5-DIMETHYLANILINEA1L4L0.8
ANCANTHRACEN-1-YLAMINEA,B1GT10.87
ANCANTHRACEN-1-YLAMINEA,B1HN20.87
BRNBERENILA,B268D0.72
BRNBERENILA,B1D630.72
BRNBERENILA,D,E2GBY0.72
BRNBERENILA2DBE0.72
BRNBERENILA2GVR0.72
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.71
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.74
PRY2-PROPYL-ANILINEA1OWY0.81
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.75
MNS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONAMIDEA1OKL0.71
ISOPARA-ISOPROPYLANILINEA1BMA0.82
ISOPARA-ISOPROPYLANILINEA,B1ELC0.82
ISOPARA-ISOPROPYLANILINEA,B1ELB0.82
ISOPARA-ISOPROPYLANILINEA,B1ELA0.82
ANLANILINEA2OV40.71
ANLANILINEA1AEE0.71
ANLANILINEA1PPA0.71
ANLANILINEA1HJ90.71
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.76
PNZP-NITRO-BENZYLAMINEA,B2C700.76
9AP9-AMINOPHENANTHRENEA1EGY0.88
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.71
N2M5-AMINO-NAPHTALENE-2-MONOSULFONATEC,D1HKN0.81
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.81
DSY5-(DIMETHYLAMINO)-2-NAPHTHALENESULFONIC ACIDC,D1BDA0.71
3NT3-NITROTOLUENEA,B2BMR0.76
3NT3-NITROTOLUENEA,B2HMO0.76