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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00004963

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.85
XYD2,5-DIMETHYLANILINEA1L4L0.85
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.71
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.72
PRY2-PROPYL-ANILINEA1OWY0.86
1AN2-FLUOROANILINEA1LGW0.72
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.72
PNZP-NITRO-BENZYLAMINEA,B2C700.72
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.85
9AP9-AMINOPHENANTHRENEA1EGY0.91
4AN6-AMINO-BENZO[DE]ISOQUINOLINE-1,3-
DIONE
A2PAX0.71
ISOPARA-ISOPROPYLANILINEA1BMA0.84
ISOPARA-ISOPROPYLANILINEA,B1ELC0.84
ISOPARA-ISOPROPYLANILINEA,B1ELB0.84
ISOPARA-ISOPROPYLANILINEA,B1ELA0.84
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.73
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.73
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.75
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA,B3CFN0.72
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA,B2ANS0.72
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA,B1OW40.72
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA1EYN0.72
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA,B1TXC0.72
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.78
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.78
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.78
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.78
DSY5-(DIMETHYLAMINO)-2-NAPHTHALENESULFONIC ACIDC,D1BDA0.72
5AN3,5-DIFLUOROANILINEA1LGX0.7
ANLANILINEA2OV40.75
ANLANILINEA1AEE0.75
ANLANILINEA1PPA0.75
ANLANILINEA1HJ90.75
MNS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONAMIDEA1OKL0.75
ANCANTHRACEN-1-YLAMINEA,B1GT10.92
ANCANTHRACEN-1-YLAMINEA,B1HN20.92
5NS5-aminonaphthalene-1-sulfonic acidA,B3CFT0.82
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.73
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.81
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.71
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.74
N2M5-AMINO-NAPHTALENE-2-MONOSULFONATEC,D1HKN0.82
PHZ1-PHENYLHYDRAZINEA2E2T0.71
PHZ1-PHENYLHYDRAZINED,H2AGL0.71
PBZP-AMINO BENZAMIDINEA,B2BDG0.76
PBZP-AMINO BENZAMIDINEA1RFN0.76
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.76
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.76
PBZP-AMINO BENZAMIDINEA1FIZ0.76
PBZP-AMINO BENZAMIDINEA1FIW0.76
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.76
3AB3-aminobenzamideA,B,C,D3GOY0.71
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.73
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.77
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.7
ANS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)H,J1CVW0.72
ANS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)H,I1A4W0.72
ANS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)H,I1FPC0.72
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.76
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.83
BRNBERENILA,B268D0.75
BRNBERENILA,B1D630.75
BRNBERENILA,D,E2GBY0.75
BRNBERENILA2DBE0.75
BRNBERENILA2GVR0.75
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.72
NPYNAPHTHALENEA,B1O7G0.71
3NT3-NITROTOLUENEA,B2BMR0.71
3NT3-NITROTOLUENEA,B2HMO0.71
34A3,4-DIMETHYLANILINEA1L4K0.88
IDMINDOLINEA,B3CEP0.72
IDMINDOLINEA1AEK0.72